SCHEMBL8639158

SCHEMBL8639158

CCC(=Cc1ccc(OC)cc1)c1ccc(OC)cc1SC

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 6/20 0.41
▸ CYP3A4 P08684 3/20 0.41
▸ ABCG2 Q9UNQ0 3/20 0.41
▸ MEN1 O00255 3/20 0.41
▸ MAPK1 P28482 3/20 0.41
▸ KMT2A Q03164 3/20 0.41
▸ LMNA P02545 3/20 0.41
▸ SMN1; SMN2 Q16637 2/20 0.41
▸ APP P05067 1/20 0.41
▸ CYP2C19 P33261 1/20 0.41
▸ ALDH1A1 P00352 4/20 0.41
▸ HPGD P15428 4/20 0.41
▸ KDM4E B2RXH2 4/20 0.41
▸ NQO2 P16083 4/20 0.40
▸ CYP1A2 P05177 2/20 0.40
▸ CYP1A1 P04798 2/20 0.40
▸ CYP1B1 Q16678 2/20 0.40
▸ TSHR P16473 1/20 0.39
▸ NFKB1 P19838 1/20 0.39
▸ APEX1 P27695 1/20 0.39

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
SCHEMBL8639155 1.00 MAPT (0.41) MAPTCYP3A4ABCG2MEN1MAPK1
SCHEMBL8636941 0.89 NQO2 (0.39) MAPTCYP3A4ABCG2MEN1MAPK1
SCHEMBL8636945 0.89 NQO2 (0.39) MAPTCYP3A4ABCG2MEN1MAPK1
SCHEMBL8636745 0.89 MAPT (0.41) MAPTCYP3A4ABCG2MEN1MAPK1
SCHEMBL8636750 0.89 MAPT (0.41) MAPTCYP3A4ABCG2MEN1MAPK1
SCHEMBL8636914 0.83 MAPT (0.41) MAPTKMT2ALMNASMN1; SMN2APP
SCHEMBL8636912 0.83 MAPT (0.41) MAPTKMT2ALMNASMN1; SMN2APP
SCHEMBL8636977 0.81 TUBB1 (0.49) MAPTCYP3A4ABCG2MEN1MAPK1
SCHEMBL8636973 0.81 TUBB1 (0.49) MAPTCYP3A4ABCG2MEN1MAPK1
SCHEMBL8639436 0.80 FLT3 (0.40) MAPTCYP3A4ABCG2MEN1MAPK1

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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