SCHEMBL6997569

SCHEMBL6997569

Cc1oc(-c2ccccc2)nc1CCOc1ccc(O)c(CC(C)C)c1

nearest known ligand 0.60

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
PPARG P37231 20/20 0.60
PPARA Q07869 13/20 0.60
PPARD Q03181 3/20 0.56

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
SCHEMBL6997565 0.89 PPARG (0.62) PPARGPPARAPPARD
SCHEMBL6996099 0.88 PPARG (0.65) PPARGPPARAPPARD
SCHEMBL6993797 0.87 PPARG (0.64) PPARGPPARAPPARD
SCHEMBL6702379 0.85 PPARG (0.62) PPARGPPARAPPARD
SCHEMBL5106039 0.85 PPARG (0.71) PPARGPPARAPPARD
SCHEMBL5214674 0.85 PPARG (0.66) PPARGPPARAPPARD
SCHEMBL5106040 0.82 PPARG (0.70) PPARGPPARAPPARD
SCHEMBL5111702 0.82 PPARG (0.58) PPARGPPARAPPARD
SCHEMBL5112747 0.82 PPARA (0.70) PPARGPPARAPPARD
SCHEMBL14431461 0.82 PPARG (0.60) 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-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