SCHEMBL8637517

SCHEMBL8637517

CCCC(O)(Cc1ccc(OC)cc1)c1cc(OC)ccc1SC

nearest known ligand 0.42

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 2/20 0.42
▸ HPGD P15428 1/20 0.36
▸ NR3C1 P04150 1/20 0.35
▸ CASR P41180 3/20 0.34
▸ KMT2A Q03164 1/20 0.34
▸ MMP9 P14780 1/20 0.34
▸ MMP13 P45452 1/20 0.34
▸ MAPT P10636 1/20 0.34
▸ GAA P10253 1/20 0.33
▸ CRHR1 P34998 1/20 0.33
▸ IDO1 P14902 2/20 0.33
▸ SMN1; SMN2 Q16637 1/20 0.32
▸ CALM1 P0DP23 1/20 0.32

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
SCHEMBL8641228 0.91 HPGD (0.38) ALDH1A1HPGDNR3C1CASRKMT2A
SCHEMBL8639144 0.90 ALDH1A1 (0.42) ALDH1A1HPGDNR3C1CASRKMT2A
SCHEMBL8639548 0.81 NR3C1 (0.40) ALDH1A1HPGDNR3C1CASRKMT2A
SCHEMBL8640478 0.80 MAPT (0.38) ALDH1A1HPGDNR3C1CASRKMT2A
SCHEMBL8641462 0.75 LTA4H (0.44) ALDH1A1HPGDCASRKMT2AMMP9
SCHEMBL8637521 0.74 ALDH1A1 (0.45) ALDH1A1NR3C1CASRMMP9MMP13
SCHEMBL8641291 0.73 ALDH1A1 (0.39) ALDH1A1HPGDNR3C1KMT2AMAPT
SCHEMBL8641031 0.73 NR3C1 (0.40) ALDH1A1HPGDNR3C1CASRKMT2A
SCHEMBL25316300 0.68 AR (0.43) ALDH1A1CRHR1
SCHEMBL5521328 0.67 IDO1 (0.47) ALDH1A1CASRIDO1SMN1; SMN2CALM1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0516257-B1 Phenylbenzo[b]furans and -thiophenes, procedures for their preparation, and pharmaceutical compositions containing the same SCHERING AG (DE) 1998-08-05 — — EP disclosed
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
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