SCHEMBL9089503

SCHEMBL9089503

COc1cc(CCc2ccc(O)cc2)cc(OC)c1OC

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TUBB4A P04350 5/20 0.71
TUBB P07437 5/20 0.71
TUBA3C P0DPH7 5/20 0.71
TUBA1B P68363 5/20 0.71
TUBA4A P68366 5/20 0.71
TUBB4B P68371 5/20 0.71
TUBB3 Q13509 5/20 0.71
TUBB2A Q13885 5/20 0.71
TUBB8 Q3ZCM7 5/20 0.71
TUBA3E Q6PEY2 5/20 0.71
TUBA1A Q71U36 5/20 0.71
TUBA1C Q9BQE3 5/20 0.71
TUBB6 Q9BUF5 5/20 0.71
TUBB2B Q9BVA1 5/20 0.71
TUBB1 Q9H4B7 5/20 0.71
CYP19A1 P11511 1/20 0.69
PTPN1 P18031 1/20 0.57
PTGS2 P35354 1/20 0.57
HTR2A P28223 1/20 0.56
HTR2C P28335 1/20 0.56

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
SCHEMBL11504708 0.91 TUBB4A (0.69) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL28403764 0.87 AKR1B1 (0.69) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL4464142 0.84 HTR2A (0.75) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL29079535 0.84 AKR1B1 (0.70) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL18563074 0.84 TUBB4A (0.78) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL663128 0.83 TUBB4A (1.00) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL9189942 0.83 TUBB4A (0.73) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL9184918 0.83 TUBB1 (0.73) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL29349837 0.82 TUBB4A (1.00) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL1535646 0.82 TUBB4A (1.00) TUBB4ATUBBTUBA3CTUBA1BTUBA4A

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5569786-A ANTICARCINOGENIC AGENTS, LEUKEMIA ARIZONA BOARD OF REGENTS ACTING ON BEHALF OF ARIZONA STATE UNIVERSITY (US) 1996-10-29 US disclosed
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
US-5409953-A Administering to treat lymphocytic leukemia ARIZONA BOARD OF REGENTS ACTING ON BEHALF OF ARIZONA STATE UNIVERSITY (US) 1995-04-25 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
EP-0276051-B1 ANTINEOPLASTIC COMPOUNDS ARIZONA BOARD OF REGENTS (US) 1991-08-21 EP disclosed
US-4996237-A Tubulin polymerization inhibitor; antitumor agent; leukemia and colon cancer ARIZONA BOARD OF REGENTS (US) 1991-02-26 US disclosed