SCHEMBL8566924

SCHEMBL8566924

COc1cc(/C=C\c2ccc(Cl)c([N+](=O)[O-])c2)cc(OC)c1OC

nearest known ligand 0.78

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TUBB1 Q9H4B7 10/20 0.78
TUBB4A P04350 6/20 0.78
TUBB P07437 6/20 0.78
TUBA3C P0DPH7 6/20 0.78
TUBA1B P68363 6/20 0.78
TUBA4A P68366 6/20 0.78
TUBB4B P68371 6/20 0.78
TUBB3 Q13509 6/20 0.78
TUBB2A Q13885 6/20 0.78
TUBB8 Q3ZCM7 6/20 0.78
TUBA3E Q6PEY2 6/20 0.78
TUBA1A Q71U36 6/20 0.78
TUBA1C Q9BQE3 6/20 0.78
TUBB6 Q9BUF5 6/20 0.78
TUBB2B Q9BVA1 6/20 0.78
PTGS2 P35354 2/20 0.64
MEN1 O00255 1/20 0.58
KMT2A Q03164 1/20 0.58
VCAM1 P19320 1/20 0.54
CYP19A1 P11511 2/20 0.52

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
SCHEMBL8566930 1.00 TUBB1 (0.78) TUBB1TUBB4ATUBBTUBA3CTUBA1B
SCHEMBL29815038 0.87 TUBB1 (1.00) TUBB1TUBB4ATUBBTUBA3CTUBA1B
SCHEMBL1764918 0.87 TUBB1 (1.00) TUBB1TUBB4ATUBBTUBA3CTUBA1B
SCHEMBL30466670 0.87 TUBB1 (1.00) TUBB1TUBB4ATUBBTUBA3CTUBA1B
SCHEMBL30063036 0.87 TUBB1 (1.00) TUBB1TUBB4ATUBBTUBA3CTUBA1B
SCHEMBL4967209 0.87 TUBB1 (1.00) TUBB1TUBB4ATUBBTUBA3CTUBA1B
SCHEMBL1764919 0.87 TUBB1 (1.00) TUBB1TUBB4ATUBBTUBA3CTUBA1B
SCHEMBL7496691 0.86 TUBB1 (0.81) TUBB1TUBB4ATUBBTUBA3CTUBA1B
SCHEMBL7499124 0.86 TUBB1 (0.81) TUBB1TUBB4ATUBBTUBA3CTUBA1B
SCHEMBL8563425 0.85 TUBB1 (0.80) TUBB1TUBB4ATUBBTUBA3CTUBA1B

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-5731353-A ANTICARCINOGENIC AGENTS AJINOMOTO CO., INC. (JP) 1998-03-24 US disclosed
US-5525632-A ANTICARCINOGENIC AGENTS AJINOMOTO CO., LTD. (JP) 1996-06-11 US disclosed
EP-0641767-A1 Cytotoxic stilbene derivatives and pharmaceutical composition containing them Ajinomoto Co., Inc. (JP) 1995-03-08 EP disclosed