SCHEMBL8639126

SCHEMBL8639126

COc1ccc(C=C(C)c2cc(OC)sc2C)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TUBB1 Q9H4B7 3/20 0.48
▸ NQO2 P16083 6/20 0.45
▸ PTGS1 P23219 4/20 0.44
▸ PTGS2 P35354 4/20 0.44
▸ KDM4E B2RXH2 3/20 0.42
▸ ALDH1A1 P00352 2/20 0.42
▸ MAPT P10636 2/20 0.42
▸ HPGD P15428 2/20 0.42
▸ CYP1A2 P05177 2/20 0.41
▸ CYP3A4 P08684 1/20 0.41
▸ TSHR P16473 1/20 0.41
▸ NFKB1 P19838 1/20 0.41
▸ APEX1 P27695 1/20 0.41
▸ BLM P54132 1/20 0.41
▸ PMP22 Q01453 1/20 0.41
▸ NPSR1 Q6W5P4 1/20 0.41
▸ ALOX5 P09917 2/20 0.39
▸ CYP1A1 P04798 2/20 0.38
▸ CYP1B1 Q16678 2/20 0.38
▸ LMNA P02545 1/20 0.38

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
SCHEMBL8636754 0.83 KDM4E (0.41) TUBB1NQO2PTGS1PTGS2KDM4E
SCHEMBL8638847 0.81 NQO2 (0.39) TUBB1NQO2PTGS1PTGS2KDM4E
SCHEMBL22383911 0.70 NQO2 (0.76) TUBB1NQO2PTGS1PTGS2KDM4E
SCHEMBL20457122 0.70 NQO2 (0.76) TUBB1NQO2PTGS1PTGS2KDM4E
SCHEMBL31474400 0.70 NQO2 (0.76) TUBB1NQO2PTGS1PTGS2KDM4E
SCHEMBL8639123 0.69 TUBB1 (0.49) TUBB1NQO2PTGS1PTGS2KDM4E
SCHEMBL8636977 0.69 TUBB1 (0.49) TUBB1NQO2PTGS1PTGS2KDM4E
SCHEMBL8636985 0.69 TUBB1 (0.52) TUBB1NQO2PTGS1PTGS2KDM4E
SCHEMBL8639119 0.69 TUBB1 (0.49) TUBB1NQO2PTGS1PTGS2KDM4E
SCHEMBL8636973 0.69 TUBB1 (0.49) TUBB1NQO2PTGS1PTGS2KDM4E

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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