SCHEMBL4575825

SCHEMBL4575825

CCc1cnc(N(CCc2ccc(OC(C)(C)C(=O)O)cc2)Cc2ccc(F)cc2Cl)nc1

nearest known ligand 0.44

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 18/20 0.44
PPARG P37231 14/20 0.44
PPARD Q03181 12/20 0.43
CYP4F2 P78329 1/20 0.40
CYP4A11 Q02928 1/20 0.40
ALDH1A1 P00352 1/20 0.38
FABP2 P12104 1/20 0.38
SMN1; SMN2 Q16637 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
SCHEMBL4575161 0.89 PPARA (0.45) PPARAPPARGPPARDCYP4F2CYP4A11
SCHEMBL4576099 0.88 PPARG (0.46) PPARAPPARGPPARD
SCHEMBL4575584 0.87 PPARA (0.50) PPARAPPARGPPARDCYP4F2CYP4A11
SCHEMBL4575971 0.87 PPARA (0.45) PPARAPPARGPPARDCYP4F2CYP4A11
SCHEMBL4576110 0.86 PPARA (0.45) PPARAPPARGPPARDCYP4F2CYP4A11
SCHEMBL4576337 0.85 PPARA (0.44) PPARAPPARGPPARDCYP4F2CYP4A11
SCHEMBL4575079 0.84 PPARA (0.51) PPARAPPARGPPARDCYP4F2CYP4A11
SCHEMBL4575576 0.83 PPARA (0.50) PPARAPPARGPPARDCYP4F2CYP4A11
SCHEMBL4575828 0.82 PPARA (0.47) PPARAPPARGPPARDCYP4F2CYP4A11
SCHEMBL4575324 0.82 PPARA (0.52) PPARAPPARGPPARD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7319104-B2 hPPARs activators SMITHKLINE BEECHAM CORPORATION (US) 2008-01-15 US disclosed
US-7319104-B2 hPPARs activators SMITHKLINE BEECHAM CORPORATION (US) 2008-01-15 US disclosed
US-7319104-B2 hPPARs activators SMITHKLINE BEECHAM CORPORATION (US) 2008-01-15 US disclosed
EP-1480957-A1 HPPARS ACTIVATORS SMITHKLINE BEECHAM CORPORATION (US) 2004-12-01 EP disclosed
WO-2003074495-A1 HPPARS ACTIVATORS SMITHKLINE BEECHAM CORPORATION (US) 2003-09-12 WO disclosed