SCHEMBL5227553

SCHEMBL5227553

N#Cc1ccc2oc(CCC(=O)O)c(C(=O)c3ccc(O)cc3)c2c1

nearest known ligand 0.53

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SLC22A12 Q96S37 7/20 0.53
EYA3 Q99504 4/20 0.53
PTPN1 P18031 1/20 0.46
CYP2C9 P11712 2/20 0.43
KMO O15229 1/20 0.41
FFAR1 O14842 2/20 0.39
LMNA P02545 1/20 0.39
HTT P42858 1/20 0.39
KDM4E B2RXH2 1/20 0.37
ALDH1A1 P00352 1/20 0.37
GLA P06280 1/20 0.37
GAA P10253 1/20 0.37
HPGD P15428 1/20 0.37
TSHR P16473 1/20 0.37
CASP1 P29466 1/20 0.37
CASP7 P55210 1/20 0.37
HSD17B10 Q99714 1/20 0.37
MAPT P10636 1/20 0.37
NR1H4 Q96RI1 1/20 0.37

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
SCHEMBL5225465 0.87 SLC22A12 (0.52) SLC22A12EYA3CYP2C9LMNAKDM4E
SCHEMBL5672687 0.87 SLC22A12 (0.52) SLC22A12EYA3PTPN1CYP2C9LMNA
SCHEMBL5227159 0.85 EYA3 (0.66) SLC22A12EYA3PTPN1CYP2C9NR1H4
SCHEMBL16547889 0.81 EYA3 (0.60) SLC22A12EYA3PTPN1CYP2C9LMNA
SCHEMBL5223239 0.79 ESR1 (0.61)
Hydrochloric Acid SCHEMBL5674613 0.79 ABCB11 (0.62)
SCHEMBL5672664 0.78 SLC22A12 (0.51) SLC22A12CYP2C9LMNAKDM4EALDH1A1
SCHEMBL7197250 0.76 SLC22A12 (0.45) SLC22A12EYA3PTPN1CYP2C9LMNA
SCHEMBL5227728 0.74 SLC22A12 (0.54) SLC22A12EYA3PTPN1CYP2C9CASP1
SCHEMBL7385370 0.73 ACP1 (0.42) SLC22A12EYA3KMOFFAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1315710-B1 AMINOALKOXYBENZOYL-BENZOFURAN OR BENZOTHIOPHENE DERIVATIVES, METHOD FOR PREPARING SAME AND COMPOSITIONS CONTAINING SAME SANOFI AVENTIS (FR) 2007-04-25 EP disclosed
EP-1315710-A1 AMINOALKOXYBENZOYL-BENZOFURAN OR BENZOTHIOPHENE DERIVATIVES, METHOD FOR PREPARING SAME AND COMPOSITIONS CONTAINING SAME SANOFI-SYNTHELABO (FR) 2003-06-04 EP disclosed
WO-2002016340-A1 AMINOALKOXYBENZOYL-BENZOFURAN OR BENZOTHIOPHENE DERIVATIVES, METHOD FOR PREPARING SAME AND COMPOSITIONS CONTAINING SAME SANOFI-SYNTHELABO (FR) 2002-02-28 WO disclosed