SCHEMBL6638554

SCHEMBL6638554

CC(C)(Oc1ccc(CCN(Cc2ccc(OC(F)(F)F)cc2)c2ccc(C=O)cn2)cc1)C(=O)O

nearest known ligand 0.45

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
PPARG P37231 14/20 0.45
PPARA Q07869 13/20 0.45
PPARD Q03181 5/20 0.41
TRPM8 Q7Z2W7 1/20 0.40

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
SCHEMBL4575331 0.89 PPARA (0.46) PPARGPPARAPPARDTRPM8
SCHEMBL4575588 0.89 FBP1 (0.41) PPARGPPARAPPARDTRPM8
SCHEMBL4574831 0.89 PPARA (0.50) PPARGPPARAPPARDTRPM8
SCHEMBL4575311 0.88 PPARA (0.45) PPARGPPARAPPARDTRPM8
SCHEMBL4575238 0.88 PPARA (0.45) PPARGPPARAPPARDTRPM8
SCHEMBL4575035 0.87 PPARA (0.44) PPARGPPARAPPARDTRPM8
SCHEMBL4575746 0.87 PPARA (0.44) PPARGPPARAPPARDTRPM8
SCHEMBL4575605 0.86 PPARA (0.48) PPARGPPARAPPARDTRPM8
SCHEMBL4575466 0.86 PPARA (0.48) PPARGPPARAPPARD
SCHEMBL4575219 0.86 PPARA (0.43) PPARGPPARAPPARDTRPM8

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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