SCHEMBL9096084

SCHEMBL9096084

COc1cc(OC)c(OC)cc1C=C(C#N)c1ccc(C(F)(F)F)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 4/20 0.54
▸ MAPT P10636 4/20 0.54
▸ KMT2A Q03164 4/20 0.54
▸ LMNA P02545 2/20 0.54
▸ L3MBTL1 Q9Y468 1/20 0.54
▸ NPSR1 Q6W5P4 3/20 0.51
▸ CYP1A1 P04798 7/20 0.46
▸ CYP1B1 Q16678 7/20 0.46
▸ NQO2 P16083 2/20 0.46
▸ NQO1 P15559 1/20 0.46
▸ TDP1 Q9NUW8 2/20 0.46
▸ RECQL P46063 2/20 0.46
▸ ALDH1A1 P00352 1/20 0.46
▸ THRB P10828 1/20 0.46
▸ HTT P42858 1/20 0.46
▸ SMN1; SMN2 Q16637 2/20 0.43
▸ DPP4 P27487 1/20 0.42
▸ PTGS1 P23219 1/20 0.42
▸ HIF1A Q16665 1/20 0.42
▸ EGFR P00533 1/20 0.42

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
SCHEMBL9096079 1.00 MEN1 (0.54) MEN1MAPTKMT2ALMNAL3MBTL1
SCHEMBL3427824 0.97 MEN1 (0.56) MEN1MAPTKMT2ALMNAL3MBTL1
SCHEMBL9097760 0.85 MAPT (0.70) MEN1MAPTKMT2ALMNAL3MBTL1
SCHEMBL9097764 0.85 MAPT (0.70) MEN1MAPTKMT2ALMNAL3MBTL1
SCHEMBL9096699 0.83 MAPT (0.55) MEN1MAPTKMT2ALMNAL3MBTL1
SCHEMBL9096703 0.83 MAPT (0.55) MEN1MAPTKMT2ALMNAL3MBTL1
SCHEMBL9097464 0.82 NPSR1 (0.54) MEN1MAPTKMT2ALMNAL3MBTL1
SCHEMBL9094715 0.82 MAPT (0.70) MEN1MAPTKMT2ALMNAL3MBTL1
SCHEMBL9096678 0.82 MEN1 (0.54) MEN1MAPTKMT2ALMNAL3MBTL1
SCHEMBL9097468 0.82 NPSR1 (0.54) MEN1MAPTKMT2ALMNAL3MBTL1

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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