SCHEMBL9504867

SCHEMBL9504867

CN(O)C(=O)c1ccc(/C=C/CCc2ccccc2)cc1

nearest known ligand 0.62

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
GPR52 Q9Y2T5 9/20 0.48
BCHE P06276 1/20 0.44
ACHE P22303 1/20 0.44
ALOX5 P09917 1/20 0.42
MLYCD O95822 1/20 0.42
KCNA3 P22001 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
SCHEMBL9504873 1.00 GPR52 (0.48) GPR52BCHEACHEALOX5MLYCD
SCHEMBL9504620 0.82 ALOX5 (0.45) GPR52ALOX5KCNA3
SCHEMBL9504623 0.82 ALOX5 (0.45) GPR52ALOX5KCNA3
SCHEMBL5020594 0.82 GPR52 (0.54) GPR52
SCHEMBL9268265 0.82 GPR52 (0.54) GPR52
SCHEMBL9506877 0.78 TNNC1 (0.42) ALOX5
SCHEMBL9506873 0.78 TNNC1 (0.42) ALOX5
SCHEMBL9506078 0.77 ALOX5 (0.63) ALOX5MLYCD
SCHEMBL9504880 0.76 MAOB (0.50) ALOX5MLYCD
SCHEMBL9508304 0.76 TNNC1 (0.49)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0161939-B1 ARYLHYDROXAMATES E.R. Squibb & Sons, Inc. (US) 1993-07-21 EP claimed
US-4607053-A L2POXYGENASE INHIBITORS E. R. SQUIBB & SONS, INC. (US) 1986-08-19 US claimed
EP-0161939-B1 ARYLHYDROXAMATES E.R. Squibb & Sons, Inc. (US) 1993-07-21 EP disclosed
US-4607053-A L2POXYGENASE INHIBITORS E. R. SQUIBB & SONS, INC. (US) 1986-08-19 US disclosed