SCHEMBL8639151

SCHEMBL8639151

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

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 1/20 0.41
▸ NR3C1 P04150 1/20 0.34
▸ CASR P41180 4/20 0.34
▸ MMP9 P14780 1/20 0.33
▸ MMP13 P45452 1/20 0.33
▸ TUBB4A P04350 1/20 0.32
▸ TUBB P07437 1/20 0.32
▸ TUBA3C P0DPH7 1/20 0.32
▸ TUBA1B P68363 1/20 0.32
▸ TUBA4A P68366 1/20 0.32
▸ TUBB4B P68371 1/20 0.32
▸ TUBB3 Q13509 1/20 0.32
▸ TUBB2A Q13885 1/20 0.32
▸ TUBB8 Q3ZCM7 1/20 0.32
▸ TUBA3E Q6PEY2 1/20 0.32
▸ TUBA1A Q71U36 1/20 0.32
▸ TUBA1C Q9BQE3 1/20 0.32
▸ TUBB6 Q9BUF5 1/20 0.32
▸ TUBB2B Q9BVA1 1/20 0.32
▸ TUBB1 Q9H4B7 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
SCHEMBL8640485 0.90 NR3C1 (0.36) ALDH1A1NR3C1CASRTUBB4ATUBB
SCHEMBL8641470 0.86 LTA4H (0.43) CASRMMP9MMP13KMT2ANPC1
SCHEMBL8641306 0.83 ALDH1A1 (0.35) ALDH1A1NR3C1ERN1SMN1; SMN2
SCHEMBL8641037 0.82 NR3C1 (0.39) NR3C1CASRTUBB4ATUBBTUBA3C
SCHEMBL8637521 0.73 ALDH1A1 (0.45) ALDH1A1NR3C1CASRMMP9MMP13
SCHEMBL18387780 0.68 IDO1 (0.45) ALDH1A1CASRMMP9MMP13IDO1
SCHEMBL5521328 0.66 IDO1 (0.47) ALDH1A1CASRIDO1HTTSMN1; SMN2
SCHEMBL8641236 0.66 NR3C1 (0.37) ALDH1A1NR3C1CASRIDO1GLA
SCHEMBL8639144 0.66 ALDH1A1 (0.42) ALDH1A1NR3C1CASRMMP9MMP13
SCHEMBL8637517 0.66 ALDH1A1 (0.42) ALDH1A1NR3C1CASRMMP9MMP13

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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