SCHEMBL9244145

SCHEMBL9244145

CC(=O)Oc1ccc(CC(C)C)cc1C

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 5/20 0.48
CFD P00746 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.43
CYP4F2 P78329 1/20 0.43
CYP4A11 Q02928 1/20 0.43
PTGS1 P23219 2/20 0.42
ALOX5AP P20292 2/20 0.41
GABRA1 P14867 1/20 0.41
GABRB2 P47870 1/20 0.41
CYP1A2 P05177 1/20 0.41
ADRA2A P08913 1/20 0.41
CYP2D6 P10635 1/20 0.41
PKM P14618 1/20 0.41
ADRA2B P18089 1/20 0.41
ADRA2C P18825 1/20 0.41
ADRA1D P25100 1/20 0.41
HTR2C P28335 1/20 0.41
ADRA1A P35348 1/20 0.41
HRH1 P35367 1/20 0.41
ADRA1B P35368 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
SCHEMBL10680144 0.87 ALOX15 (0.62) ALOX15CFDCYP4F2CYP4A11PTGS1
SCHEMBL27316147 0.84 ALOX15 (0.53) ALOX15CFDCYP4F2CYP4A11PTGS1
SCHEMBL7111370 0.83 CFD (0.43) ALOX15CFDL3MBTL1CYP4F2CYP4A11
SCHEMBL22064390 0.83 LDHA (0.58) ALOX15PTGS1LDHA
SCHEMBL13929122 0.81 AKT1 (0.56) CFDL3MBTL1CYP4F2CYP4A11PTGS1
SCHEMBL27627503 0.80 AKT1 (0.46) ALOX15CFDCYP4F2CYP4A11PTGS1
SCHEMBL24202271 0.80 CFD (0.49) CFDL3MBTL1CYP4F2CYP4A11PTGS1
SCHEMBL22492187 0.80 CFD (0.53) CFDL3MBTL1CYP4F2CYP4A11PTGS1
SCHEMBL24201934 0.80 CFD (0.49) CFDL3MBTL1CYP4F2CYP4A11PTGS1
SCHEMBL28193150 0.80 CFD (0.49) CFDL3MBTL1CYP4F2CYP4A11PTGS1

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
JP-7304688-A None JP disclosed
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
JP-H07304688-A NON-STEROIDAL ANTI-INFLAMMATORY DRUG, PRODUCTION THEREOF AND MEDICINE CONTAINING THE SAME SCOTIA HOLDINGS PLC 1995-11-21 JP disclosed