SCHEMBL4694839

SCHEMBL4694839

C=CCOc1ccc(-c2cc(C(=O)NCc3ccc(OC(C)(CCC)C(=O)O)c(C)c3)nn2C)cc1

nearest known ligand 0.82

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
PPARG P37231 19/20 0.82
PPARA Q07869 17/20 0.82
PPARD Q03181 9/20 0.62

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
SCHEMBL2859210 0.90 PPARG (1.00) PPARGPPARAPPARD
SCHEMBL4694836 0.87 PPARG (0.84) PPARGPPARAPPARD
SCHEMBL4688275 0.86 PPARG (0.80) PPARGPPARAPPARD
SCHEMBL5138740 0.86 PPARG (0.81) PPARGPPARAPPARD
SCHEMBL4692584 0.84 PPARG (0.81) PPARGPPARAPPARD
SCHEMBL4688254 0.83 PPARG (0.65) PPARGPPARAPPARD
SCHEMBL4691387 0.82 PPARG (0.65) PPARGPPARAPPARD
SCHEMBL4689959 0.79 PPARG (0.69) PPARGPPARAPPARD
SCHEMBL4689096 0.79 PPARG (1.00) PPARGPPARAPPARD
SCHEMBL4692901 0.78 PPARG (0.68) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1685113-B1 SUBSTITUTED PYRAZOLES AS PPAR AGONISTS SMITHKLINE BEECHAM CORP (US) 2008-07-30 EP disclosed