SCHEMBL5780927

SCHEMBL5780927

CCOC(=O)C(Cc1ccc2c(c1)c(C)cn2Cc1nc(-c2ccc(F)c(C)c2)oc1C)OCC

nearest known ligand 0.70

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
PPARG P37231 20/20 0.70
PPARA Q07869 20/20 0.70
PPARD Q03181 16/20 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
SCHEMBL5781292 0.94 PPARG (0.79) PPARGPPARAPPARD
SCHEMBL5783169 0.88 PPARG (0.88) PPARGPPARAPPARD
SCHEMBL5782098 0.88 PPARG (0.71) PPARGPPARAPPARD
SCHEMBL5783214 0.85 PPARG (0.68) PPARGPPARAPPARD
SCHEMBL5780224 0.83 PPARG (0.68) PPARGPPARAPPARD
SCHEMBL5015839 0.82 PPARG (0.69) PPARGPPARAPPARD
SCHEMBL5779351 0.82 PPARG (1.00) PPARGPPARAPPARD
SCHEMBL5780863 0.82 PPARG (1.00) PPARGPPARAPPARD
SCHEMBL5780682 0.82 PPARG (0.80) PPARGPPARAPPARD
SCHEMBL5780869 0.82 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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1539746-B1 N-SUBSTITUTED-1H-INDOL-5-PROPIONIC ACID COMPOUNDS AS PPAR AGONISTS USEFUL FOR THE TREATMENT OF DIABETES HOFFMANN LA ROCHE (CH) 2006-11-15 EP disclosed
EP-1539746-A1 N-SUBSTITUTED-1H-INDOL-5-PROPIONIC ACID COMPOUNDS AS PPAR AGONISTS USEFUL FOR THE TREATMENT OF DIABETES F. HOFFMANN-LA ROCHE AG (CH) 2005-06-15 EP disclosed
US-6890947-B2 Indolyl derivatives HOFFMANN-LA ROCHE INC. (US) 2005-05-10 US disclosed
WO-2004024726-A1 N-SUBSTITUTED-1H-INDOL-5-PROPIONIC ACID COMPOUNDS AS PPAR AGONISTS USEFUL FOR THE TREATMENT OF DIABETES F. HOFFMANN-LA ROCHE AG (CH) 2004-03-25 WO disclosed