SCHEMBL6640914

SCHEMBL6640914

CCc1cnc(N(CCc2ccc(OC(C)(C)C(=O)O)cc2)Cc2ccccc2-c2ccccc2)nc1

nearest known ligand 0.45

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
PPARG P37231 14/20 0.45
PPARA Q07869 11/20 0.45
PPARD Q03181 3/20 0.45
FFAR1 O14842 3/20 0.43
FFAR4 Q5NUL3 3/20 0.43

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
SCHEMBL4575477 0.89 PPARG (0.47) PPARGPPARAPPARD
SCHEMBL4576099 0.88 PPARG (0.46) PPARGPPARAPPARD
SCHEMBL4575771 0.88 PPARG (0.50) PPARGPPARAPPARD
SCHEMBL4575403 0.86 PPARG (0.45) PPARGPPARAPPARD
SCHEMBL4574639 0.86 PPARG (0.44) PPARGPPARAPPARDFFAR1
SCHEMBL4575627 0.86 PPARG (0.44) PPARGPPARAPPARDFFAR1FFAR4
SCHEMBL4575576 0.85 PPARA (0.50) PPARGPPARAPPARD
SCHEMBL4575353 0.83 PPARA (0.50) PPARGPPARAPPARD
SCHEMBL4575340 0.83 PPARA (0.50) PPARGPPARAPPARD
SCHEMBL4575828 0.83 PPARA (0.47) PPARGPPARAPPARD

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
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