SCHEMBL6440554

SCHEMBL6440554

CCCCCc1nc(CCOc2ccc(CC(OCC)C(=O)O)c3sccc23)c(C)o1

nearest known ligand 0.73

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
PPARG P37231 20/20 0.73
PPARA Q07869 20/20 0.73
PPARD Q03181 5/20 0.73

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
SCHEMBL6446810 0.98 PPARG (0.70) PPARGPPARAPPARD
SCHEMBL5562482 0.92 PPARG (0.78) PPARGPPARAPPARD
SCHEMBL5562727 0.89 PPARG (0.73) PPARGPPARAPPARD
SCHEMBL5557308 0.86 PPARG (0.77) PPARGPPARAPPARD
SCHEMBL5563881 0.85 PPARG (0.75) PPARGPPARAPPARD
SCHEMBL5558245 0.85 PPARG (0.75) PPARGPPARAPPARD
SCHEMBL5564093 0.85 PPARG (0.75) PPARGPPARAPPARD
SCHEMBL5557717 0.85 PPARG (0.72) PPARGPPARAPPARD
SCHEMBL5759052 0.85 PPARG (1.00) PPARGPPARAPPARD
SCHEMBL5763710 0.85 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-1572203-A1 SUBSTITUTED 4-ALKOXYOXAZOL DERIVATIVES AS PPAR AGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2005-09-14 EP disclosed
WO-2004041275-A1 SUBSTITUTED 4-ALKOXYOXAZOL DERIVATIVES AS PPAR AGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2004-05-21 WO disclosed