Hydrochloric Acid

Hydrochloric Acid

SCHEMBL3746967

CNC(=O)Oc1cc(CC(NC(=O)C(N)Cc2ccc(O)c(O)c2)C(=O)OC)ccc1O.Cl

nearest known ligand 0.52

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
▸ LCK known ✓ P06239 2/20 0.52
▸ OPRK1 known ✓ P41145 1/20 0.43
▸ EGFR known ✓ P00533 1/20 0.43
▸ PTGS1 known ✓ P23219 1/20 0.43
▸ HTR2A known ✓ P28223 1/20 0.43
▸ PTGS2 known ✓ P35354 1/20 0.43
▸ HDAC3 known ✓ O15379 1/20 0.40
▸ HDAC4 known ✓ P56524 1/20 0.40
▸ HDAC1 known ✓ Q13547 1/20 0.40
▸ HDAC7 known ✓ Q8WUI4 1/20 0.40
▸ HDAC2 known ✓ Q92769 1/20 0.40
▸ HDAC10 known ✓ Q969S8 1/20 0.40
▸ HDAC11 known ✓ Q96DB2 1/20 0.40
▸ HDAC8 known ✓ Q9BY41 1/20 0.40
▸ HDAC6 known ✓ Q9UBN7 1/20 0.40
▸ HDAC9 known ✓ Q9UKV0 1/20 0.40
▸ HDAC5 known ✓ Q9UQL6 1/20 0.40
▸ ERAP2 Q6P179 3/20 0.43
▸ LNPEP Q9UIQ6 2/20 0.43
▸ ERAP1 Q9NZ08 2/20 0.43

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 SCHEMBL3729333 1.00 LCK (0.52) LCKERAP2LNPEPERAP1ALOX15
SCHEMBL3801519 0.99 LCK (0.53) LCKERAP2LNPEPERAP1ALOX15
SCHEMBL3733282 0.99 LCK (0.53) LCKERAP2LNPEPERAP1ALOX15
Hydrochloric Acid SCHEMBL3640073 0.94 LCK (0.52) LCKERAP2LNPEPERAP1ALOX15
SCHEMBL8093509 0.93 LCK (0.53) LCKERAP2LNPEPERAP1ALOX15
SCHEMBL12083525 0.91 LCK (0.49) LCKERAP2LNPEPERAP1ALOX15
SCHEMBL3640278 0.90 ALOX15 (0.44) LCKALOX15SLC7A5OPRK1KDM4E
Hydrochloric Acid SCHEMBL11684930 0.88 LCK (0.64) LCKERAP2LNPEPERAP1ALOX15
SCHEMBL11849660 0.87 LCK (0.65) LCKERAP2LNPEPERAP1ALOX15
Trifluoroacetic Acid SCHEMBL3639104 0.86 LCK (0.44) LCKERAP2LNPEPERAP1ALOX15

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2176217-A1 AMINO ACID DERIVATIVES Proximagen Ltd. (GB) 2010-04-21 — — EP disclosed
WO-2009007696-A1 AMINO ACID DERIVATIVES PROXIMAGEN LTD. (GB) 2009-01-15 — — WO disclosed
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