SCHEMBL9097877

SCHEMBL9097877

COc1ccc(/C=C(\C#N)c2ccc(C)cc2)c(OC)c1OC

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NQO1 P15559 1/20 0.51
▸ NQO2 P16083 1/20 0.51
▸ TUBB4A P04350 4/20 0.48
▸ TUBB P07437 4/20 0.48
▸ TUBA3C P0DPH7 4/20 0.48
▸ TUBA1B P68363 4/20 0.48
▸ TUBA4A P68366 4/20 0.48
▸ TUBB4B P68371 4/20 0.48
▸ TUBB3 Q13509 4/20 0.48
▸ TUBB2A Q13885 4/20 0.48
▸ TUBB8 Q3ZCM7 4/20 0.48
▸ TUBA3E Q6PEY2 4/20 0.48
▸ TUBA1A Q71U36 4/20 0.48
▸ TUBA1C Q9BQE3 4/20 0.48
▸ TUBB6 Q9BUF5 4/20 0.48
▸ TUBB2B Q9BVA1 4/20 0.48
▸ TUBB1 Q9H4B7 4/20 0.48
▸ ABCG2 Q9UNQ0 1/20 0.46
▸ LMNA P02545 1/20 0.45
▸ MAPT P10636 1/20 0.45

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
SCHEMBL9097880 1.00 NQO1 (0.51) NQO1NQO2TUBB4ATUBBTUBA3C
SCHEMBL9097324 0.87 POLB (0.49) NQO1NQO2TUBB4ATUBBTUBA3C
SCHEMBL9097327 0.87 POLB (0.49) NQO1NQO2TUBB4ATUBBTUBA3C
SCHEMBL6430871 0.86 TUBB4A (0.54) NQO1NQO2TUBB4ATUBBTUBA3C
SCHEMBL6430874 0.86 TUBB4A (0.54) NQO1NQO2TUBB4ATUBBTUBA3C
SCHEMBL9096892 0.85 NQO1 (0.48) NQO1NQO2TUBB4ATUBBTUBA3C
SCHEMBL9096889 0.85 NQO1 (0.48) NQO1NQO2TUBB4ATUBBTUBA3C
SCHEMBL9097807 0.84 NQO1 (0.47) NQO1NQO2TUBB4ATUBBTUBA3C
SCHEMBL9097809 0.84 NQO1 (0.47) NQO1NQO2TUBB4ATUBBTUBA3C
SCHEMBL6431369 0.81 TUBB4A (0.43) NQO1NQO2TUBB4ATUBBTUBA3C

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5574062-A COMPOUNDS HAVE 3-ARYL AND 7-HYDROXY OR -ACYLOXY; USE TO INHIBIT 12-LIPOXYGENASE MORINAGA MILK INDUSTRY CO., LTD. (JP) 1996-11-12 — — US disclosed
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