SCHEMBL4682140

SCHEMBL4682140

CCCNC(C)(c1ccc(OC(C)(C)C(=O)OCC)c(C)c1)c1cc(-c2ccc(C(F)(F)F)cc2)nn1C

nearest known ligand 0.43

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 15/20 0.43
PPARD Q03181 15/20 0.43
PPARG P37231 12/20 0.43
FBP1 P09467 1/20 0.37
AGER Q15109 1/20 0.36
GPR119 Q8TDV5 2/20 0.34

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
SCHEMBL4679123 0.91 PPARA (0.45) PPARAPPARDPPARGFBP1GPR119
SCHEMBL4677889 0.83 FBP1 (0.40) PPARAPPARDPPARGFBP1AGER
SCHEMBL4679444 0.81 FBP1 (0.38) PPARAPPARDPPARGFBP1AGER
SCHEMBL6528502 0.80 PPARA (0.37) PPARAPPARDPPARGFBP1GPR119
SCHEMBL4681991 0.80 PPARA (0.43) PPARAPPARDPPARGAGERGPR119
SCHEMBL4679068 0.80 PPARA (0.54) PPARAPPARDPPARG
SCHEMBL4682147 0.80 PPARD (0.41) PPARAPPARDPPARGFBP1
SCHEMBL14445913 0.77 FBP1 (0.45) PPARAPPARDPPARGFBP1
SCHEMBL4679129 0.76 PPARD (0.42) PPARAPPARDPPARGFBP1
SCHEMBL4677930 0.76 PPARA (0.39) PPARAPPARDPPARGFBP1

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
US-7241793-B2 Phenyloxyalkanonic acid derivatives as hPPAR activators SMITHKLINE BEECHAM CORPORATION (US) 2007-07-10 US claimed
EP-1513796-B1 PHENYLOXYALKANOIC ACID DERIVATIVES AS HPPAR ACTIVATORS SMITHKLINE BEECHAM CORP (US) 2008-02-13 EP disclosed
US-7241793-B2 Phenyloxyalkanonic acid derivatives as hPPAR activators SMITHKLINE BEECHAM CORPORATION (US) 2007-07-10 US disclosed