SCHEMBL27627503

SCHEMBL27627503

CC(=O)Oc1ccc(CC(C)C)cc1CN

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
AKT1 P31749 1/20 0.46
ALOX15 P16050 6/20 0.46
GABRA1 P14867 1/20 0.45
GABRB2 P47870 1/20 0.45
CFD P00746 1/20 0.43
ALOX5AP P20292 1/20 0.41
ALDH1A1 P00352 1/20 0.40
ALOX5 P09917 1/20 0.40
CYP4F2 P78329 1/20 0.40
CYP4A11 Q02928 1/20 0.40
PTGS1 P23219 1/20 0.40
EPHX1 P07099 1/20 0.40
CYP2D6 P10635 1/20 0.39
CYP2C19 P33261 1/20 0.39
PKM P14618 1/20 0.39
CXCR1 P25024 1/20 0.38
CXCR2 P25025 1/20 0.38

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
SCHEMBL10680144 0.83 ALOX15 (0.62) ALOX15GABRA1GABRB2CFDALDH1A1
SCHEMBL27316147 0.80 ALOX15 (0.53) ALOX15GABRA1GABRB2CFDALDH1A1
SCHEMBL9244145 0.80 ALOX15 (0.48) ALOX15GABRA1GABRB2CFDALOX5AP
SCHEMBL22064390 0.79 LDHA (0.58) ALOX15ALDH1A1PTGS1
SCHEMBL27561746 0.76 TRPV1 (0.53) AKT1ALOX5
SCHEMBL11841548 0.76 ALOX15 (0.63) AKT1ALOX15GABRA1GABRB2ALOX5
SCHEMBL163415 0.76 GABRA1 (0.51) ALOX15GABRA1GABRB2ALOX5PTGS1
SCHEMBL28787058 0.75 CFD (0.47) AKT1CFDALDH1A1PTGS1
SCHEMBL27611659 0.75 CYP4F2 (0.44) AKT1CFDALDH1A1ALOX5CYP4F2
SCHEMBL11238516 0.74 FFAR1 (0.45) AKT1CFD

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
CN-100562511-C 2-aryl-acetic acids, their derivative and contain their pharmaceutical composition DOMPE SPA (IT) 2009-11-25 CN claimed
CN-1768026-A 2-aryl-acetic acids, their derivatives and pharmaceutical compositions containing them DOMPE SPA (IT) 2006-05-03 CN claimed
CN-100562511-C 2-aryl-acetic acids, their derivative and contain their pharmaceutical composition DOMPE SPA (IT) 2009-11-25 CN disclosed
CN-1768026-A 2-aryl-acetic acids, their derivatives and pharmaceutical compositions containing them DOMPE SPA (IT) 2006-05-03 CN disclosed