SCHEMBL8635619

SCHEMBL8635619

COc1ccc(C=Cc2c(OC)csc2C)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RELA Q04206 2/20 0.53
▸ TUBB1 Q9H4B7 5/20 0.51
▸ TUBB4A P04350 4/20 0.51
▸ TUBB P07437 4/20 0.51
▸ TUBA3C P0DPH7 4/20 0.51
▸ TUBA1B P68363 4/20 0.51
▸ TUBA4A P68366 4/20 0.51
▸ TUBB4B P68371 4/20 0.51
▸ TUBB3 Q13509 4/20 0.51
▸ TUBB2A Q13885 4/20 0.51
▸ TUBB8 Q3ZCM7 4/20 0.51
▸ TUBA3E Q6PEY2 4/20 0.51
▸ TUBA1A Q71U36 4/20 0.51
▸ TUBA1C Q9BQE3 4/20 0.51
▸ TUBB6 Q9BUF5 4/20 0.51
▸ TUBB2B Q9BVA1 4/20 0.51
▸ CYP1A2 P05177 4/20 0.49
▸ CYP1A1 P04798 4/20 0.49
▸ CYP1B1 Q16678 4/20 0.49
▸ NFE2L2 Q16236 3/20 0.49

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
SCHEMBL4881152 0.74 RELA (0.81) RELATUBB1TUBB4ATUBBTUBA3C
SCHEMBL699458 0.74 RELA (0.81) RELATUBB1TUBB4ATUBBTUBA3C
SCHEMBL699457 0.74 RELA (0.81) RELATUBB1TUBB4ATUBBTUBA3C
SCHEMBL14950253 0.74 RELA (0.81) RELATUBB1TUBB4ATUBBTUBA3C
SCHEMBL631998 0.74 RELA (0.81) RELATUBB1TUBB4ATUBBTUBA3C
SCHEMBL13790336 0.74 RELA (0.81) RELATUBB1TUBB4ATUBBTUBA3C
SCHEMBL5492159 0.74 CYP1A1 (0.66) RELATUBB1TUBB4ATUBBTUBA3C
SCHEMBL5492154 0.74 CYP1A1 (0.66) RELATUBB1TUBB4ATUBBTUBA3C
SCHEMBL29288695 0.72 RELA (0.77) RELATUBB1TUBB4ATUBBTUBA3C
SCHEMBL8636985 0.72 TUBB1 (0.52) RELATUBB1TUBB4ATUBBTUBA3C

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 3 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
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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