SCHEMBL4694956

SCHEMBL4694956

CCCc1ccc(-c2cc(C(=O)NCc3ccc(OC(C)(C)C(=O)O)c(OC)c3)nn2C)cc1

nearest known ligand 0.82

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
PPARG P37231 19/20 0.82
PPARA Q07869 16/20 0.70
PPARD Q03181 8/20 0.70

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
SCHEMBL2785200 0.89 PPARG (1.00) PPARGPPARAPPARD
SCHEMBL2805324 0.89 PPARG (0.84) PPARGPPARAPPARD
SCHEMBL4689724 0.86 PPARG (0.81) PPARGPPARAPPARD
SCHEMBL2810318 0.82 PPARG (1.00) PPARGPPARAPPARD
SCHEMBL4689579 0.82 PPARG (1.00) PPARGPPARAPPARD
SCHEMBL4689934 0.81 PPARG (0.85) PPARGPPARAPPARD
SCHEMBL2811302 0.81 PPARG (1.00) PPARGPPARAPPARD
SCHEMBL14288217 0.81 PPARG (0.82) PPARGPPARAPPARD
SCHEMBL4692541 0.81 PPARG (0.71) PPARGPPARAPPARD
SCHEMBL2810217 0.81 PPARG (1.00) 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 2 patents. 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 claimed
EP-1685113-B1 SUBSTITUTED PYRAZOLES AS PPAR AGONISTS SMITHKLINE BEECHAM CORP (US) 2008-07-30 EP disclosed