Hydrochloric Acid

Hydrochloric Acid

SCHEMBL4717659

COC(=O)[C@H](Cc1ccc(O)c(O)c1)NC(=O)CC(C)N.Cl

nearest known ligand 0.62

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 0.62
▸ HTR2A known ✓ P28223 2/20 0.46
▸ PTGS2 known ✓ P35354 2/20 0.46
▸ EGFR known ✓ P00533 1/20 0.46
▸ PTGS1 known ✓ P23219 1/20 0.46
▸ ESR1 known ✓ P03372 2/20 0.44
▸ NR3C1 known ✓ P04150 1/20 0.44
▸ GLA known ✓ P06280 1/20 0.44
▸ CHRM1 known ✓ P11229 1/20 0.44
▸ DRD2 known ✓ P14416 1/20 0.44
▸ ADRA2B known ✓ P18089 1/20 0.44
▸ SLC6A2 known ✓ P23975 1/20 0.44
▸ ADRA1A known ✓ P35348 1/20 0.44
▸ HRH1 known ✓ P35367 1/20 0.44
▸ DRD3 known ✓ P35462 1/20 0.44
▸ PPARG known ✓ P37231 1/20 0.44
▸ OPRK1 known ✓ P41145 1/20 0.44
▸ HTR2B known ✓ P41595 1/20 0.44
▸ SLC6A3 known ✓ Q01959 1/20 0.44
▸ PDE4D known ✓ Q08499 1/20 0.44

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
SCHEMBL11864242 0.84 LCK (0.68) LCKALOX15KDM4ERECQLHIF1A
Hydrochloric Acid SCHEMBL11684930 0.84 LCK (0.64) LCKALOX15KDM4ERECQLHIF1A
SCHEMBL6267583 0.83 LCK (0.70) LCKALOX15KDM4ERECQLHIF1A
SCHEMBL11849660 0.82 LCK (0.65) LCKALOX15KDM4ERECQLHIF1A
SCHEMBL13633667 0.82 LCK (0.59) LCKALOX15KDM4ERECQLHIF1A
SCHEMBL10792638 0.81 LCK (0.71) LCKALOX15KDM4ERECQLHIF1A
SCHEMBL10792628 0.81 LCK (0.71) LCKALOX15KDM4ERECQLHIF1A
SCHEMBL15976476 0.81 LCK (0.71) LCKALOX15KDM4ERECQLHIF1A
SCHEMBL15976477 0.81 LCK (0.71) LCKALOX15KDM4ERECQLHIF1A
SCHEMBL6139811 0.81 LCK (0.67) LCKALDH1A1NPSR1HDAC1HDAC6

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-1981901-A1 AMINO ACID DERIVATIVES Proximagen Ltd. (GB) 2008-10-22 — — EP disclosed
WO-2007091017-A1 AMINO ACID DERIVATIVES PROXIMAGEN LTD. (GB) 2007-08-16 — — WO disclosed
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