SCHEMBL8636949

SCHEMBL8636949

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

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 3/20 0.38
▸ KDM4E B2RXH2 2/20 0.38
▸ ALDH1A1 P00352 2/20 0.38
▸ HPGD P15428 2/20 0.38
▸ TUBB1 Q9H4B7 4/20 0.37
▸ TUBB4A P04350 3/20 0.36
▸ TUBB P07437 3/20 0.36
▸ TUBA3C P0DPH7 3/20 0.36
▸ TUBA1B P68363 3/20 0.36
▸ TUBA4A P68366 3/20 0.36
▸ TUBB4B P68371 3/20 0.36
▸ TUBB3 Q13509 3/20 0.36
▸ TUBB2A Q13885 3/20 0.36
▸ TUBB8 Q3ZCM7 3/20 0.36
▸ TUBA3E Q6PEY2 3/20 0.36
▸ TUBA1A Q71U36 3/20 0.36
▸ TUBA1C Q9BQE3 3/20 0.36
▸ TUBB6 Q9BUF5 3/20 0.36
▸ TUBB2B Q9BVA1 3/20 0.36
▸ CYP1A2 P05177 2/20 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
SCHEMBL8639165 0.90 NQO2 (0.42) MAPTKDM4EALDH1A1HPGDTUBB1
SCHEMBL8639442 0.83 TDP1 (0.34) MAPTKDM4EALDH1A1HPGDTUBB1
SCHEMBL8636917 0.81 MAPT (0.40) MAPTKDM4EALDH1A1HPGDTDP1
SCHEMBL8636985 0.81 TUBB1 (0.52) MAPTKDM4EALDH1A1HPGDTUBB1
SCHEMBL8638847 0.73 NQO2 (0.39) MAPTKDM4EALDH1A1HPGDTUBB1
SCHEMBL11632383 0.69 ALDH1A1 (0.50) MAPTKDM4EALDH1A1HPGDCYP1A2
SCHEMBL8640593 0.68 SMN1; SMN2 (0.49) MAPTALDH1A1HPGDCYP3A4TDP1
SCHEMBL8635619 0.66 RELA (0.53) KDM4EALDH1A1HPGDTUBB1TUBB4A
SCHEMBL8638839 0.65 NQO2 (0.39) MAPTKDM4EALDH1A1HPGDTUBB1
SCHEMBL8636941 0.65 NQO2 (0.39) MAPTKDM4EALDH1A1HPGDTUBB1

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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