SCHEMBL4575267

SCHEMBL4575267

CC(C)(Oc1ccc(CCN(Cc2ccc(C(F)(F)F)cc2C(F)(F)F)c2ncccn2)cc1)C(=O)O

nearest known ligand 0.57

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 16/20 0.57
PPARD Q03181 11/20 0.57
PPARG P37231 11/20 0.57
POLQ O75417 1/20 0.42

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
SCHEMBL4575631 0.91 PPARA (0.54) PPARAPPARDPPARGPOLQ
SCHEMBL4575324 0.91 PPARA (0.52) PPARAPPARDPPARG
SCHEMBL4575332 0.91 PPARA (0.51) PPARAPPARDPPARG
SCHEMBL4576038 0.91 PPARA (0.51) PPARAPPARDPPARG
SCHEMBL4576122 0.88 PPARA (0.56) PPARAPPARDPPARG
SCHEMBL4575633 0.87 PPARA (0.53) PPARAPPARDPPARGPOLQ
SCHEMBL4575388 0.87 PPARG (0.73) PPARAPPARDPPARGPOLQ
SCHEMBL4575657 0.86 PPARA (0.56) PPARAPPARDPPARG
SCHEMBL4575298 0.86 PPARA (0.51) PPARAPPARDPPARG
SCHEMBL4574770 0.85 PPARA (0.53) PPARAPPARDPPARG

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