SCHEMBL6985706

SCHEMBL6985706

Cc1oc(-c2ccc(-c3cccs3)cc2)nc1CCOc1ccc(-c2cccc(OCC(C)C(=O)O)c2C)cc1

nearest known ligand 0.53

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
PPARG P37231 20/20 0.53
PPARA Q07869 16/20 0.53
PPARD Q03181 6/20 0.48

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
SCHEMBL6288254 0.80 PPARG (0.75) PPARGPPARAPPARD
SCHEMBL14395176 0.79 PPARA (0.56) PPARGPPARAPPARD
SCHEMBL5210093 0.79 PPARG (0.60) PPARGPPARAPPARD
SCHEMBL6699626 0.77 PPARA (0.77) PPARGPPARAPPARD
SCHEMBL6985710 0.73 PPARA (0.74) PPARGPPARAPPARD
SCHEMBL6702308 0.73 PPARA (0.62) PPARGPPARAPPARD
SCHEMBL5210369 0.73 PPARA (0.79) PPARGPPARAPPARD
SCHEMBL5210370 0.73 PPARA (0.87) PPARGPPARAPPARD
SCHEMBL5208786 0.72 PPARA (0.81) PPARGPPARAPPARD
SCHEMBL5208722 0.72 PPARA (0.72) 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-1313717-A1 OXAZOLYL-ARYLPROPIONIC ACID DERIVATIVES AND THEIR USE AS PPAR AGONISTS ELI LILLY AND COMPANY (US) 2003-05-28 EP claimed
WO-2002016332-A1 OXAZOLYL-ARYLPROPIONIC ACID DERIVATIVES AND THEIR USE AS PPAR AGONISTS ELI LILLY AND COMPANY (US) 2002-02-28 WO claimed
EP-1313717-A1 OXAZOLYL-ARYLPROPIONIC ACID DERIVATIVES AND THEIR USE AS PPAR AGONISTS ELI LILLY AND COMPANY (US) 2003-05-28 EP disclosed
WO-2002016332-A1 OXAZOLYL-ARYLPROPIONIC ACID DERIVATIVES AND THEIR USE AS PPAR AGONISTS ELI LILLY AND COMPANY (US) 2002-02-28 WO disclosed