Hydrochloric Acid

Hydrochloric Acid

SCHEMBL9480948

CN(C)CCC(=O)c1ccc(-c2ccccc2)o1.Cl

nearest known ligand 0.56

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
EGFR known ✓ P00533 3/20 0.46
S1PR4 known ✓ O95977 1/20 0.45
PDE4B known ✓ Q07343 3/20 0.42
PDE4D known ✓ Q08499 1/20 0.42
PDE7A known ✓ Q13946 1/20 0.42
PDE3A known ✓ Q14432 1/20 0.42
PDE7B known ✓ Q9NP56 1/20 0.42
ERCC5 P28715 3/20 0.56
FEN1 P39748 3/20 0.56
ALDH1A1 P00352 3/20 0.51
HPGD P15428 1/20 0.51
SLC9A1 P19634 1/20 0.46
HSD17B10 Q99714 2/20 0.44
POLB P06746 1/20 0.44
MAPT P10636 1/20 0.44
PKM P14618 1/20 0.44
HTT P42858 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
UBE2N P61088 1/20 0.43
CYP1A2 P05177 1/20 0.42

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 SCHEMBL9478421 0.86 ERCC5 (0.57) ERCC5FEN1ALDH1A1HPGDSLC9A1
Hydrochloric Acid SCHEMBL9735120 0.86 KDM4E (0.54) ERCC5FEN1ALDH1A1HPGDHSD17B10
Hydrochloric Acid SCHEMBL9734823 0.86 SLC9A1 (0.48) ERCC5FEN1ALDH1A1HPGDSLC9A1
Hydrochloric Acid SCHEMBL9478660 0.85 ALDH1A1 (0.51) ERCC5FEN1ALDH1A1HPGDEGFR
Hydrochloric Acid SCHEMBL9735185 0.84 KDM4E (0.46) ERCC5FEN1ALDH1A1HPGDSLC9A1
Hydrochloric Acid SCHEMBL9734309 0.83 SLC9A1 (0.50) ERCC5FEN1ALDH1A1HPGDSLC9A1
Hydrochloric Acid SCHEMBL9736210 0.82 ERCC5 (0.47) ERCC5FEN1SLC9A1CYP1A2
SCHEMBL1218954 0.82 SLC9A1 (0.53) ALDH1A1HPGDSLC9A1S1PR4HSD17B10
Hydrochloric Acid SCHEMBL9734438 0.82 SLC9A1 (0.49) ERCC5FEN1SLC9A1PDE4BPDE4D
Hydrochloric Acid SCHEMBL9736195 0.81 CYP1A2 (0.57) ALDH1A1HPGDSLC9A1HSD17B10TDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5214042-A Use of 5-phenyl-2-furan esters, amides and ketones as neuroprotective agents NORWICH EATON PHARMACEUTICALS, INC. (US) 1993-05-25 US disclosed
US-5118708-A USE OF 5-PHENYL-2-FURAN ESTERS, AMIDES AND KETONES AS NEUROPROTECTIVE AGENTS NORWICH EATON PHARMACEUTICALS, INC. (US) 1992-06-02 US disclosed
US-5091426-A 5-PHENYL-2-FURAN KETONES AND USE AS ANTIEPILEPTIC AGENTS NORWICH EATON PHARMACEUTICALS, INC. (US) 1992-02-25 US disclosed
EP-0404233-A2 Novel use of 5-phenyl-2-furan esters, amides and ketones as neuroprotective agents Norwich Eaton Pharmaceuticals, Inc. (US) 1990-12-27 EP disclosed
EP-0404232-A1 The use of 5-phenyl-2-furan ketones as antiepileptic agents Norwich Eaton Pharmaceuticals, Inc. (US) 1990-12-27 EP disclosed