SCHEMBL9186240

SCHEMBL9186240

COc1ccc(CC(C#N)c2cc(OC)c(OC)c(OC)c2)cc1

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TUBB4A P04350 6/20 0.53
TUBB P07437 6/20 0.53
TUBA3C P0DPH7 6/20 0.53
TUBA1B P68363 6/20 0.53
TUBA4A P68366 6/20 0.53
TUBB4B P68371 6/20 0.53
TUBB3 Q13509 6/20 0.53
TUBB2A Q13885 6/20 0.53
TUBB8 Q3ZCM7 6/20 0.53
TUBA3E Q6PEY2 6/20 0.53
TUBA1A Q71U36 6/20 0.53
TUBA1C Q9BQE3 6/20 0.53
TUBB6 Q9BUF5 6/20 0.53
TUBB2B Q9BVA1 6/20 0.53
TUBB1 Q9H4B7 6/20 0.53
CACNA1G O43497 1/20 0.43
CACNA1B Q00975 1/20 0.43
ESR1 P03372 3/20 0.43
ESR2 Q92731 3/20 0.43
CYP1A2 P05177 2/20 0.43

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
SCHEMBL9185981 0.89 TUBB4A (0.53) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL19951523 0.83 ALDH1A1 (0.61) ESR1ESR2CYP1A2CYP2C19CYP2D6
SCHEMBL8697184 0.81 TUBB4A (0.52) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL27293617 0.79 ESR2 (0.51) ESR1ESR2CYP1A2CYP2C19CYP2D6
SCHEMBL3674989 0.79 TUBB4A (0.68) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL9719915 0.78 CCR1 (0.48) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL10910082 0.78 PTGS2 (0.47) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL29061980 0.78 PTGS2 (0.47) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL28655367 0.78 TUBB4A (0.57) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL23606201 0.77 ESR2 (0.76) ESR1ESR2CYP1A2CYP2C19CYP2D6

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
US-5430062-A Combretastatin analogues; inhibition of tubulin polymerization and colchicine binding; antitumor,-mitotic and -neoplastic agents RESEARCH CORPORATION TECHNOLOGIES, INC. (US) 1995-07-04 US disclosed
EP-0641301-A1 STILBENE DERIVATIVES AS ANTICANCER AGENTS RESEARCH CORPORATION TECHNOLOGIES, INC. (US) 1995-03-08 EP disclosed
WO-1993023357-A1 STILBENE DERIVATIVES AS ANTICANCER AGENTS RESEARCH CORPORATION TECHNOLOGIES, INC. (US) 1993-11-25 WO disclosed