SCHEMBL5992008

SCHEMBL5992008

Cc1cc(OCC(C)COc2ccc(C(F)(F)F)cc2Oc2ccccc2)ccc1OCC(=O)O

nearest known ligand 0.61

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
PPARD Q03181 20/20 0.61
PPARA Q07869 3/20 0.55
PPARG P37231 2/20 0.55

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
SCHEMBL5992535 0.87 PPARD (0.58) PPARDPPARAPPARG
SCHEMBL5991917 0.86 PPARD (0.74) PPARDPPARAPPARG
SCHEMBL4506950 0.84 PPARD (0.56) PPARDPPARAPPARG
SCHEMBL5990189 0.80 PPARG (0.49) PPARDPPARAPPARG
SCHEMBL5990816 0.80 PPARG (0.61) PPARDPPARAPPARG
SCHEMBL7019132 0.78 PPARD (0.78) PPARDPPARA
SCHEMBL5990508 0.77 PPARD (0.60) PPARDPPARAPPARG
SCHEMBL5990514 0.77 PPARD (0.60) PPARDPPARAPPARG
SCHEMBL5989606 0.77 KCNQ3 (0.44) PPARDPPARAPPARG
SCHEMBL5988751 0.77 PPARG (0.49) PPARDPPARAPPARG

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