SCHEMBL8639165

SCHEMBL8639165

CCC(=Cc1ccc(OC)cc1)c1c(OC)csc1C

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NQO2 P16083 3/20 0.42
▸ KDM4E B2RXH2 2/20 0.40
▸ ALDH1A1 P00352 2/20 0.40
▸ MAPT P10636 2/20 0.40
▸ HPGD P15428 2/20 0.40
▸ PTGS1 P23219 1/20 0.39
▸ TUBB1 Q9H4B7 5/20 0.39
▸ NFE2L2 Q16236 1/20 0.38
▸ CYP1A2 P05177 1/20 0.38
▸ CYP3A4 P08684 1/20 0.38
▸ TSHR P16473 1/20 0.38
▸ NFKB1 P19838 1/20 0.38
▸ APEX1 P27695 1/20 0.38
▸ BLM P54132 1/20 0.38
▸ PMP22 Q01453 1/20 0.38
▸ NPSR1 Q6W5P4 1/20 0.38
▸ ABCG2 Q9UNQ0 1/20 0.38
▸ TUBB4A P04350 3/20 0.36
▸ TUBB P07437 3/20 0.36
▸ TUBA3C P0DPH7 3/20 0.36

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
SCHEMBL8636949 0.90 MAPT (0.38) NQO2KDM4EALDH1A1MAPTHPGD
SCHEMBL8636917 0.84 MAPT (0.40) KDM4EALDH1A1MAPTHPGDTDP1
SCHEMBL8636985 0.83 TUBB1 (0.52) NQO2KDM4EALDH1A1MAPTHPGD
SCHEMBL8639442 0.81 TDP1 (0.34) NQO2KDM4EALDH1A1MAPTHPGD
SCHEMBL8636754 0.71 KDM4E (0.41) NQO2KDM4EALDH1A1MAPTHPGD
SCHEMBL8640593 0.69 SMN1; SMN2 (0.49) ALDH1A1MAPTHPGDCYP3A4TDP1
SCHEMBL8635619 0.68 RELA (0.53) NQO2KDM4EALDH1A1HPGDPTGS1
SCHEMBL438314 0.66 MEN1 (0.70) KDM4EALDH1A1MAPTHPGDCYP1A2
SCHEMBL8638847 0.64 NQO2 (0.39) NQO2KDM4EALDH1A1MAPTHPGD
SCHEMBL10503809 0.64 MAPT (0.49) KDM4EALDH1A1MAPTHPGDCYP1A2

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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