SCHEMBL9136261

SCHEMBL9136261

Cc1c(-c2ccc(O)cc2)oc2cc(O)ccc12

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.63
CYP3A4 P08684 6/20 0.63
CYP2C9 P11712 5/20 0.63
CYP2C19 P33261 2/20 0.63
TSHR P16473 1/20 0.63
TDP1 Q9NUW8 1/20 0.63
KDM4E B2RXH2 8/20 0.61
HSD17B10 Q99714 7/20 0.61
MAPT P10636 6/20 0.61
MEN1 O00255 5/20 0.61
KMT2A Q03164 5/20 0.61
HPGD P15428 5/20 0.61
MAPK1 P28482 4/20 0.61
CASP1 P29466 4/20 0.61
CASP7 P55210 4/20 0.61
TP53 P04637 2/20 0.61
CYP2D6 P10635 1/20 0.61
HSD17B3 P37058 5/20 0.59
SMN1; SMN2 Q16637 3/20 0.56
PTGES O14684 1/20 0.56

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
SCHEMBL38663343 0.87 ALDH1A1 (0.83) ALDH1A1CYP3A4CYP2C9CYP2C19TSHR
SCHEMBL9669237 0.86 MEN1 (0.68) ALDH1A1CYP3A4CYP2C9CYP2C19TSHR
SCHEMBL10334432 0.79 MAPT (0.65) ALDH1A1CYP3A4CYP2C9CYP2C19TSHR
SCHEMBL8638914 0.78 PTPN1 (0.58) ALDH1A1CYP3A4CYP2C9CYP2C19TSHR
SCHEMBL1627835 0.78 ALDH1A1 (1.00) ALDH1A1CYP3A4CYP2C9CYP2C19TSHR
SCHEMBL7527991 0.78 ALDH1A1 (0.54) ALDH1A1CYP3A4CYP2C9CYP2C19TSHR
SCHEMBL5196128 0.77 HSD17B3 (0.67) ALDH1A1CYP2C9TSHRKDM4EHSD17B10
SCHEMBL25327302 0.77 MAPT (0.72) ALDH1A1CYP3A4CYP2C9CYP2C19TSHR
SCHEMBL30523094 0.77 MAPT (0.72) ALDH1A1CYP3A4CYP2C9CYP2C19TSHR
SCHEMBL5088627 0.77 ERAP1 (0.83) ALDH1A1CYP3A4TSHRTDP1KDM4E

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
WO-1992021669-A1 2-PHENYLBENZO[B]FURANS AND THIOPHENES, METHODS OF PREPARING THEM AND PHARMACEUTICAL PREPARATIONS CONTAINING THEM SCHERING AKTIENGESELLSCHAFT (DE) 1992-12-10 WO claimed
EP-0516257-A1 Phenylbenzo[b]furans and -thiophenes, procedures for their preparation, and pharmaceutical compositions containing the same SCHERING AKTIENGESELLSCHAFT (DE) 1992-12-02 EP claimed
US-5470854-A Antiestrogens SCHERING AKTIENGESELLSCHAFT (DE) 1995-11-28 US disclosed
WO-1992021669-A1 2-PHENYLBENZO[B]FURANS AND THIOPHENES, METHODS OF PREPARING THEM AND PHARMACEUTICAL PREPARATIONS CONTAINING THEM SCHERING AKTIENGESELLSCHAFT (DE) 1992-12-10 WO disclosed
EP-0516257-A1 Phenylbenzo[b]furans and -thiophenes, procedures for their preparation, and pharmaceutical compositions containing the same SCHERING AKTIENGESELLSCHAFT (DE) 1992-12-02 EP disclosed