SCHEMBL9097327

SCHEMBL9097327

COc1ccc(C=C(C#N)c2ccccc2)c(OC)c1OC

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ POLB P06746 2/20 0.49
▸ ALDH1A1 P00352 2/20 0.49
▸ HPGD P15428 2/20 0.49
▸ L3MBTL1 Q9Y468 1/20 0.49
▸ NQO1 P15559 1/20 0.49
▸ NQO2 P16083 1/20 0.49
▸ MEN1 O00255 2/20 0.48
▸ KMT2A Q03164 2/20 0.48
▸ KDM4E B2RXH2 2/20 0.48
▸ NPSR1 Q6W5P4 1/20 0.48
▸ TUBB4A P04350 4/20 0.47
▸ TUBB P07437 4/20 0.47
▸ TUBA3C P0DPH7 4/20 0.47
▸ TUBA1B P68363 4/20 0.47
▸ TUBA4A P68366 4/20 0.47
▸ TUBB4B P68371 4/20 0.47
▸ TUBB3 Q13509 4/20 0.47
▸ TUBB2A Q13885 4/20 0.47
▸ TUBB8 Q3ZCM7 4/20 0.47
▸ TUBA3E Q6PEY2 4/20 0.47

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
SCHEMBL9097324 1.00 POLB (0.49) POLBALDH1A1HPGDL3MBTL1NQO1
SCHEMBL9097880 0.87 NQO1 (0.51) POLBALDH1A1HPGDL3MBTL1NQO1
SCHEMBL9097877 0.87 NQO1 (0.51) POLBALDH1A1HPGDL3MBTL1NQO1
SCHEMBL6430871 0.84 TUBB4A (0.54) NQO1NQO2TUBB4ATUBBTUBA3C
SCHEMBL6430874 0.84 TUBB4A (0.54) NQO1NQO2TUBB4ATUBBTUBA3C
SCHEMBL9096892 0.84 NQO1 (0.48) POLBALDH1A1HPGDL3MBTL1NQO1
SCHEMBL9096889 0.84 NQO1 (0.48) POLBALDH1A1HPGDL3MBTL1NQO1
SCHEMBL9097807 0.83 NQO1 (0.47) POLBALDH1A1HPGDL3MBTL1NQO1
SCHEMBL9097809 0.83 NQO1 (0.47) POLBALDH1A1HPGDL3MBTL1NQO1
SCHEMBL6431367 0.82 TUBB4A (0.43) POLBALDH1A1L3MBTL1NQO1NQO2

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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