SCHEMBL9504620

SCHEMBL9504620

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

nearest known ligand 0.49

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 2/20 0.45
HDAC1 Q13547 1/20 0.43
HDAC6 Q9UBN7 1/20 0.43
GPR52 Q9Y2T5 2/20 0.42
GAA P10253 1/20 0.42
HPGD P15428 1/20 0.42
THRA P10827 1/20 0.42
THRB P10828 1/20 0.42
KCNA3 P22001 1/20 0.41

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
SCHEMBL9504623 1.00 ALOX5 (0.45) ALOX5HDAC1HDAC6GPR52GAA
SCHEMBL9504867 0.82 GPR52 (0.48) ALOX5GPR52KCNA3
SCHEMBL9504873 0.82 GPR52 (0.48) ALOX5GPR52KCNA3
SCHEMBL9504697 0.79 PPARG (0.48) HPGD
SCHEMBL9504706 0.79 PPARG (0.48) HPGD
SCHEMBL11019590 0.79 PPARG (0.48) HPGD
SCHEMBL9506258 0.78 PPARG (0.50) HPGD
SCHEMBL9506265 0.78 PPARG (0.50) HPGD
SCHEMBL9508151 0.77 TNNC1 (0.47) THRATHRB
SCHEMBL9508145 0.77 TNNC1 (0.47) THRATHRB

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
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
EP-0161939-A2 Arylhydroxamates E.R. Squibb & Sons, Inc. (US) 1985-11-21 EP disclosed