SCHEMBL4575367

SCHEMBL4575367

CC(C)c1nc(N(CCc2ccc(OC(C)(C)C(=O)O)cc2)Cc2ccc(OC(F)(F)F)cc2)no1

nearest known ligand 0.43

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 15/20 0.43
PPARD Q03181 10/20 0.43
PPARG P37231 10/20 0.43
CYP4F2 P78329 1/20 0.37
CYP4A11 Q02928 1/20 0.37
TBXAS1 P24557 1/20 0.37
ADRB3 P13945 1/20 0.37

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
SCHEMBL4575635 0.93 PPARA (0.47) PPARAPPARDPPARG
SCHEMBL4575271 0.91 PPARA (0.41) PPARAPPARDPPARGCYP4F2CYP4A11
SCHEMBL4575364 0.89 PPARG (0.42) PPARAPPARDPPARGCYP4F2CYP4A11
SCHEMBL4575774 0.86 PPARA (0.45) PPARAPPARDPPARG
SCHEMBL4575298 0.84 PPARA (0.51) PPARAPPARDPPARG
SCHEMBL4575795 0.83 PPARA (0.44) PPARAPPARDPPARG
SCHEMBL4575237 0.83 PPARA (0.39) PPARAPPARDPPARG
SCHEMBL4575866 0.82 PPARA (0.50) PPARAPPARDPPARG
SCHEMBL4575145 0.82 PPARA (0.47) PPARAPPARDPPARG
SCHEMBL4575078 0.81 FFAR1 (0.42) PPARAPPARDPPARGCYP4F2CYP4A11

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