SCHEMBL5990189

SCHEMBL5990189

CC(COc1ccc(OC(C)(C)C(=O)O)cc1)COc1ccc(C(F)(F)F)cc1Oc1ccccc1

nearest known ligand 0.49

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
PPARG P37231 16/20 0.49
PPARA Q07869 16/20 0.49
PPARD Q03181 14/20 0.49

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
SCHEMBL5988751 0.96 PPARG (0.49) PPARGPPARAPPARD
SCHEMBL5992535 0.91 PPARD (0.58) PPARGPPARAPPARD
SCHEMBL5990307 0.85 PPARA (0.58) PPARGPPARAPPARD
SCHEMBL5991190 0.84 PPARG (0.56) PPARGPPARAPPARD
SCHEMBL5992008 0.80 PPARD (0.61) PPARGPPARAPPARD
SCHEMBL5989640 0.80 PPARG (0.49) PPARGPPARAPPARD
SCHEMBL5991917 0.78 PPARD (0.74) PPARGPPARAPPARD
SCHEMBL5990816 0.78 PPARG (0.61) PPARGPPARAPPARD
SCHEMBL5989606 0.78 KCNQ3 (0.44) PPARGPPARAPPARD
SCHEMBL5991207 0.75 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20060257987-A1 Ppar modulators ELI LILLY AND COMPANY 2006-11-16 US disclosed
EP-1660428-A1 PPAR MODULATORS ELI LILLY AND COMPANY (US) 2006-05-31 EP disclosed
WO-2005019151-A1 PPAR MODULATORS ELI LILLY AND COMPANY (US) 2005-03-03 WO disclosed