SCHEMBL5222440

SCHEMBL5222440

Cc1oc(-c2ccccc2)nc1CCOc1ccc(OC(C)C(=O)O)c(C)c1CCCCCc1ccccc1

nearest known ligand 0.63

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
PPARG P37231 20/20 0.63
PPARA Q07869 17/20 0.63
PPARD Q03181 4/20 0.51

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
SCHEMBL5099400 0.78 PPARG (1.00) PPARGPPARAPPARD
SCHEMBL6288254 0.78 PPARG (0.75) PPARGPPARAPPARD
SCHEMBL5105744 0.75 PPARG (0.67) PPARGPPARAPPARD
SCHEMBL14431770 0.74 PPARG (0.58) PPARGPPARAPPARD
SCHEMBL5103119 0.74 PPARG (0.68) PPARGPPARAPPARD
SCHEMBL6997196 0.73 PPARG (0.57) PPARGPPARAPPARD
SCHEMBL14431366 0.73 PPARG (0.59) PPARGPPARAPPARD
SCHEMBL5098184 0.73 PPARA (0.68) PPARGPPARAPPARD
SCHEMBL5099360 0.72 PPARG (0.55) PPARGPPARAPPARD
SCHEMBL4391342 0.71 PPARG (0.59) 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1313715-B1 OXAZOLYL-ARYLOXYACETIC ACID DERIVATIVES AND THEIR USE AS PPAR AGONISTS LILLY CO ELI (US) 2007-08-01 EP disclosed
EP-1313715-A1 OXAZOLYL-ARYLOXYACETIC ACID DERIVATIVES AND THEIR USE AS PPAR AGONISTS ELI LILLY AND COMPANY (US) 2003-05-28 EP disclosed
WO-2002018355-A1 OXAZOLYL-ARYLOXYACETIC ACID DERIVATIVES AND THEIR USE AS PPAR AGONISTS ELI LILLY AND COMPANY (US) 2002-03-07 WO disclosed