Hydrochloric Acid

Hydrochloric Acid

SCHEMBL10808288

COC(=O)[C@@H]1Cc2ccccc2[C@@H](N)C1.Cl

nearest known ligand 0.40

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 19)

geneUniProtsupporting neighboursconfidence
SIGMAR1 known ✓ Q99720 2/20 0.38
KMT2A Q03164 2/20 0.40
CYP3A4 P08684 2/20 0.38
CYP1A2 P05177 2/20 0.38
TSHR P16473 2/20 0.38
MAPK1 P28482 2/20 0.38
CYP2D6 P10635 1/20 0.38
HSD17B10 Q99714 1/20 0.38
KDM1A O60341 4/20 0.38
FABP7 O15540 1/20 0.37
FABP3 P05413 1/20 0.37
FABP5 Q01469 1/20 0.37
ALDH1A1 P00352 1/20 0.36
MTNR1A P48039 1/20 0.36
MTNR1B P49286 1/20 0.36
MEN1 O00255 1/20 0.36
ALOX15 P16050 1/20 0.36
CYP2C19 P33261 1/20 0.36
POLB P06746 1/20 0.36

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 SCHEMBL10808302 1.00 KMT2A (0.40) KMT2ACYP3A4CYP1A2TSHRMAPK1
Hydrochloric Acid SCHEMBL29057540 1.00 KMT2A (0.40) KMT2ACYP3A4CYP1A2TSHRMAPK1
Hydrochloric Acid SCHEMBL10808293 1.00 KMT2A (0.40) KMT2ACYP3A4CYP1A2TSHRMAPK1
Hydrochloric Acid SCHEMBL10807448 0.82 MAPT (0.38) KMT2AHSD17B10ALDH1A1MEN1
Hydrochloric Acid SCHEMBL10807445 0.82 MAPT (0.38) KMT2AHSD17B10ALDH1A1MEN1
Hydrochloric Acid SCHEMBL10807442 0.82 MAPT (0.38) KMT2AHSD17B10ALDH1A1MEN1
Hydrochloric Acid SCHEMBL10810614 0.81 SIGMAR1 (0.45) TSHRKDM1ASIGMAR1
Hydrochloric Acid SCHEMBL10809303 0.81 MAPT (0.38) KMT2AHSD17B10ALDH1A1MEN1
Hydrochloric Acid SCHEMBL10809295 0.81 MAPT (0.38) KMT2AHSD17B10ALDH1A1MEN1
Hydrochloric Acid SCHEMBL10809308 0.81 MAPT (0.38) KMT2AHSD17B10ALDH1A1MEN1

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110770232-B Herbicidal 3-phenylisoxazoline-5-carboxamides of tetrahydro-and dihydrofuran carboxylic acids and esters 拜耳公司 2023-08-15 CN disclosed
EP-0118564-B1 4-AMINO-TETRAHYDRO-2-NAPHTHOIC ACID DERIVATIVES Yoshitomi Pharmaceutical Industries, Ltd. (JP) 1987-04-22 EP disclosed
US-4598093-A HYPOTENSIVE AGENTS, DIURETICS YOSHITOMI PHARMACEUTICAL INDUSTRIES, LTD. (JP) 1986-07-01 US disclosed
EP-0118564-A1 4-AMINO-TETRAHYDRO-2-NAPHTHOIC ACID DERIVATIVES Yoshitomi Pharmaceutical Industries, Ltd. (JP) 1984-09-19 EP disclosed