SCHEMBL4575339

SCHEMBL4575339

CCc1cnc(N(CCc2ccc(OC(C)(C)C(=O)O)cc2)Cc2ccc(OC)c(C)c2)nc1

nearest known ligand 0.44

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 17/20 0.44
PPARG P37231 11/20 0.44
PPARD Q03181 10/20 0.44
CYP4F2 P78329 1/20 0.39
CYP4A11 Q02928 1/20 0.39

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
SCHEMBL4575353 0.88 PPARA (0.50) PPARAPPARGPPARDCYP4F2CYP4A11
SCHEMBL4575138 0.87 PPARD (0.49) PPARAPPARGPPARD
SCHEMBL4575576 0.87 PPARA (0.50) PPARAPPARGPPARDCYP4F2CYP4A11
SCHEMBL4575084 0.86 PPARA (0.40) PPARAPPARGPPARD
SCHEMBL4575199 0.86 PPARA (0.46) PPARAPPARGPPARDCYP4F2CYP4A11
SCHEMBL4575340 0.86 PPARA (0.50) PPARAPPARGPPARDCYP4F2CYP4A11
SCHEMBL4575129 0.85 PPARA (0.44) PPARAPPARGPPARD
SCHEMBL4575771 0.85 PPARG (0.50) PPARAPPARGPPARD
SCHEMBL4576337 0.84 PPARA (0.44) PPARAPPARGPPARDCYP4F2CYP4A11
SCHEMBL4575828 0.84 PPARA (0.47) PPARAPPARGPPARDCYP4F2CYP4A11

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