SCHEMBL5990508

SCHEMBL5990508

Cc1cc(SCC[C@H](C)Oc2ccc(C(F)(F)F)cc2Oc2ccccc2)ccc1OCC(=O)O

nearest known ligand 0.60

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
PPARD Q03181 20/20 0.60
PPARA Q07869 2/20 0.60
PPARG P37231 1/20 0.60

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
SCHEMBL5990514 1.00 PPARD (0.60) PPARDPPARAPPARG
SCHEMBL5989235 0.93 PPARD (0.56) PPARDPPARAPPARG
SCHEMBL5989233 0.93 PPARD (0.56) PPARDPPARAPPARG
SCHEMBL5989269 0.92 PPARD (0.53) PPARDPPARAPPARG
SCHEMBL5989275 0.92 PPARD (0.53) PPARDPPARAPPARG
SCHEMBL5989365 0.92 PPARD (0.55) PPARDPPARAPPARG
SCHEMBL5989374 0.92 PPARD (0.55) PPARDPPARAPPARG
SCHEMBL5990424 0.91 PPARD (0.51) PPARDPPARAPPARG
SCHEMBL5990421 0.91 PPARD (0.51) PPARDPPARAPPARG
SCHEMBL5990490 0.90 PPARD (0.59) 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