Hydrochloric Acid

Hydrochloric Acid

SCHEMBL8630295

CC(C)(C)OC(=O)N[C@@H](CCCNC(=N)N)C(=O)O.Cl

nearest known ligand 0.54

Full drug profile on Sugi Atlas →

Known targets — ChEMBL curated mechanism

ABL1ACEACHEACVR1ADRA1AADRA1BADRA1DADRA2AADRA2BADRA2CADRB1ADRB2ADRB3AGTR1ALKAVPR1AAVPR2BCHEBCRCA2CACNA1ACACNA1BCACNA1CCACNA1DCACNA1ECACNA1FCACNA1GCACNA1HCACNA1ICACNA1SCACNA2D1CACNA2D2CACNA2D3CACNA2D4CACNB1CACNB2CACNB3CACNB4CACNG1CACNG2CACNG3CACNG4CACNG5CACNG6CACNG7CACNG8CALCRLCASRCCR5CDK4CDK6CFBCHRM1CHRM2CHRM3CHRM4CHRM5CHRNA1CHRNA3CHRNA7CHRNB1CHRNB4CHRNDCHRNECHRNGCOXFA4COXFA4L2CRBNCSF1RCUL4ACYP19A1DDB1DPP4DRD1DRD2DRD3DRD4EDNRAEGFREML4ERBB2ERBB4ESR1ESR2FGFR1FGFR3FLT1FLT3FLT4GAAGABRA1GABRA2GABRA3GABRA4GABRA5GABRA6GABRB1GABRB2GABRB3GABRDGABREGABRG1GABRG2GABRG3GABRPGABRQGHSRGLAGNRHRGPD2GRIN1GRIN2AGRIN2BGRIN2CGRIN2DGRIN3AGRIN3BGSTP1HCN4HCRTR1HCRTR2HDAC1HDAC10HDAC11HDAC2HDAC3HDAC4HDAC5HDAC6HDAC7HDAC8HDAC9HRH1HRH2HRH3HSD11B1HSP90AA1HSP90AB1HTR1AHTR1BHTR1DHTR1EHTR1FHTR2AHTR2BHTR2CHTR3AHTR3BHTR3CHTR3DHTR3EHTR4HTR5AHTR6HTR7IMPDH1IMPDH2ITGA2BITGB3ITKJAK1JAK2KCNA1KCNA10KCNA2KCNA3KCNA4KCNA5KCNA6KCNA7KCNB1KCNB2KCNC1KCNC2KCNC3KCNC4KCND1KCND2KCND3KCNF1KCNG1KCNG2KCNG3KCNG4KCNH1KCNH2KCNH3KCNH4KCNH5KCNH6KCNH7KCNH8KCNJ2KCNJ3KCNJ5KCNK3KCNK9KCNQ1KCNQ2KCNQ3KCNQ4KCNQ5KCNS1KCNS2KCNS3KCNV1KCNV2KDRKITKLKB1LCKMMAOAMAOBMAPK14METMMP1MMP13MMP7MMP8MT-ND1MT-ND2MT-ND3MT-ND4MT-ND4LMT-ND5MT-ND6NDUFA1NDUFA10NDUFA11NDUFA12NDUFA13NDUFA2NDUFA3NDUFA5NDUFA6NDUFA7NDUFA8NDUFA9NDUFAB1NDUFAF1NDUFAF2NDUFAF3NDUFAF4NDUFB1NDUFB10NDUFB11NDUFB2NDUFB3NDUFB4NDUFB5NDUFB6NDUFB7NDUFB8NDUFB9NDUFC1NDUFC2NDUFS1NDUFS2NDUFS3NDUFS4NDUFS5NDUFS6NDUFS7NDUFS8NDUFV1NDUFV2NDUFV3NR3C1NS5ANTRK1NTRK2NTRK3ODC1OPRD1OPRK1OPRM1P2RY12PAHPARP1PDE3APDE3BPDE4APDE4BPDE4CPDE4DPDE5APDE7APDE7BPDE8APDE8BPDGFRAPDGFRBPIK3CAPIK3CDPNPPOLA1POLA2POLD1POLD2POLD3POLD4POLEPOLE2POLE3PPARGPRIM1PRIM2PRKCAPRKCBPRKCDPRKCEPRKCGPRKCHPRKCIPRKCQPRKCZPRKD1PRKD3PTGS1PTGS2RBX1RENRETROCK1ROCK2RPE65RRM1RRM2RRM2BS1PR1S1PR2S1PR3S1PR4S1PR5SCN10ASCN11ASCN1ASCN2ASCN3ASCN4ASCN5ASCN7ASCN8ASCN9ASCNN1ASCNN1BSCNN1GSIGMAR1SLC18A2SLC6A1SLC6A2SLC6A3SLC6A4SLC9A3SRCTACR1TOP1TOP2ATOP2BTTRTYMPdacAdacBdacCembAfolAftsIgyrAgyrBmrcAmrcBmrdAparCparEpolrplArplBrplCrplDrplErplFrplIrplJrplKrplLrplMrplNrplOrplPrplQrplRrplSrplTrplUrplVrplWrplXrplYrpmArpmBrpmCrpmDrpmErpmE2rpmFrpmGrpmG1rpmG2rpmG3rpmHrpmIrpmJrpsArpsBrpsCrpsDrpsErpsFrpsGrpsHrpsIrpsJrpsKrpsLrpsMrpsNrpsOrpsPrpsQrpsRrpsSrpsTrpsUykgMykgO

The experimentally established mechanism targets of Hydrochloric Acid. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA known ✓ P10253 1/20 0.54
PPARG known ✓ P37231 3/20 0.41
MAOA known ✓ P21397 1/20 0.41
MAOB known ✓ P27338 1/20 0.41
ITGB3 known ✓ P05106 3/20 0.41
ITGA2B known ✓ P08514 3/20 0.41
MEN1 O00255 1/20 0.54
KMT2A Q03164 1/20 0.54
CTSK P43235 8/20 0.47
CTSS P25774 5/20 0.47
CAPN1 P07384 1/20 0.44
ALDH1A1 P00352 1/20 0.43
TSHR P16473 1/20 0.43
PPARA Q07869 3/20 0.41
CTSL P07711 1/20 0.40
CTSB P07858 1/20 0.40
PPARD Q03181 2/20 0.40
JAK3 P52333 1/20 0.40
BTK Q06187 1/20 0.40
TDP1 Q9NUW8 1/20 0.39

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
Hydrochloric Acid SCHEMBL10444447 1.00 MEN1 (0.54) MEN1GAAKMT2ACTSKCTSS
Hydrochloric Acid SCHEMBL7264801 1.00 MEN1 (0.54) MEN1GAAKMT2ACTSKCTSS
Hydrochloric Acid SCHEMBL7304854 0.99 MEN1 (0.52) MEN1GAAKMT2ACTSKCTSS
Hydrochloric Acid SCHEMBL10723070 0.99 MEN1 (0.52) MEN1GAAKMT2ACTSKCTSS
Hydrochloric Acid SCHEMBL10932432 0.99 MEN1 (0.52) MEN1GAAKMT2ACTSKCTSS
SCHEMBL2367531 0.99 MEN1 (0.55) MEN1GAAKMT2ACTSKCTSS
SCHEMBL7364210 0.99 MEN1 (0.55) MEN1GAAKMT2ACTSKCTSS
SCHEMBL1486276 0.99 MEN1 (0.55) MEN1GAAKMT2ACTSKCTSS
Water SCHEMBL10332189 0.97 MEN1 (0.54) MEN1GAAKMT2ACTSKCTSS
Water SCHEMBL10332190 0.97 MEN1 (0.54) MEN1GAAKMT2ACTSKCTSS

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 19 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117304254-A Synthesis method of endotoxin detection reagent fluorogenic substrate 上海瀚诺威生物科技有限公司 2023-12-29 CN claimed
CN-108864006-A N- tertbutyloxycarbonyl-N '-(Pentamethyl Dihydrobenzofuranes -5- sulfonyl)-L-arginine synthetic method 上海吉奉生物科技有限公司 2018-11-23 CN claimed
CN-113698457-B Preparation method of gonadorelin acetate 上海丽珠制药有限公司 2024-06-11 CN disclosed
CN-117304254-A Synthesis method of endotoxin detection reagent fluorogenic substrate 上海瀚诺威生物科技有限公司 2023-12-29 CN disclosed
CN-117304254-A Synthesis method of endotoxin detection reagent fluorogenic substrate 上海瀚诺威生物科技有限公司 2023-12-29 CN disclosed
CN-108864006-A N- tertbutyloxycarbonyl-N '-(Pentamethyl Dihydrobenzofuranes -5- sulfonyl)-L-arginine synthetic method 上海吉奉生物科技有限公司 2018-11-23 CN disclosed
CN-106478759-A Shellfish chlolic acid derivatives difficult to understand and its production and use 陕西合成药业股份有限公司 2017-03-08 CN disclosed
CN-106467494-A Amino-acid ester soluble derivative of laevo-ornidazole and application thereof 陕西合成药业股份有限公司 2017-03-01 CN disclosed
CN-102617380-B Carbonic acid diester water-soluble derivant of amino acid and propofol, and application of carbonic acid diester water-soluble derivant of amino acid and propofol CHENGDU YIPING PHARMACEUTICAL SCIENCE & DEV CO LTD 2014-04-02 CN disclosed
CN-102617380-A Carbonic acid diester water-soluble derivant of amino acid and propofol, and application of carbonic acid diester water-soluble derivant of amino acid and propofol CHENGDU YIPING MEDICAL TECHNOLOGY DEV CO LTD 2012-08-01 CN disclosed
CN-102391137-A Water-soluble amino acid ester derivative of propofol and application thereof CHENGDU YIPING MEDICAL TECHNOLOGY DEV CO LTD 2012-03-28 CN disclosed
EP-0542525-B1 Antithrombotic agents LILLY CO ELI (US) 1998-07-08 EP disclosed
US-5416093-A DIPEPTIDE DERIVATIVES ELI LILLY AND COMPANY (US) 1995-05-16 US disclosed
US-5252566-A Antithrombotic agents ELI LILLY AND COMPANY (US) 1993-10-12 US disclosed
EP-0542525-A2 Antithrombotic agents ELI LILLY AND COMPANY (US) 1993-05-19 EP disclosed
EP-0446699-A1 Inhibitors of nitric oxide biosynthesis MERRELL PHARMACEUTICALS INC. (US) 1991-09-18 EP disclosed
EP-0360390-A1 Spirolactam derivatives GLAXO GROUP LIMITED (GB) 1990-03-28 EP disclosed
EP-0137742-B1 PROCESS FOR PRODUCING ARGINYL-P-NITROANILIDE NITTO BOSEKI CO., LTD. (JP) 1986-09-17 EP disclosed
EP-0137742-A1 Process for producing arginyl-p-nitroanilide NITTO BOSEKI CO., LTD. (JP) 1985-04-17 EP disclosed