SCHEMBL5708221

SCHEMBL5708221

Cc1cc(SCC(C)c2cccc3cn(-c4ccc(C(F)(F)F)cc4)nc23)ccc1CCC(=O)O

nearest known ligand 0.40

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
PPARD Q03181 19/20 0.40
PPARA Q07869 4/20 0.39
PPARG P37231 3/20 0.39
PARP1 P09874 1/20 0.39

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
SCHEMBL5708243 0.89 PPARD (0.40) PPARDPPARAPPARGPARP1
SCHEMBL5904767 0.87 PPARD (0.42) PPARDPPARAPPARG
SCHEMBL5904761 0.87 PPARD (0.42) PPARDPPARAPPARG
SCHEMBL5904766 0.87 PPARD (0.42) PPARDPPARAPPARG
SCHEMBL3961112 0.86 PPARD (0.41) PPARDPPARAPPARGPARP1
SCHEMBL5708246 0.85 PPARD (0.41) PPARDPPARAPPARGPARP1
SCHEMBL3966899 0.83 PPARD (0.47) PPARDPPARAPPARGPARP1
SCHEMBL3964607 0.82 PPARD (0.41) PPARDPPARAPPARGPARP1
SCHEMBL5708181 0.80 PPARD (0.44) PPARDPPARAPPARGPARP1
SCHEMBL5904846 0.78 PPARD (0.41) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1706386-A1 BICYCLIC DERIVATIVES AS PPAR MODULATORS ELI LILLY AND COMPANY (US) 2006-10-04 EP claimed
WO-2005066136-A1 BICYCLIC DERIVATIVES AS PPAR MODULATORS ELI LILLY AND COMPANY (US) 2005-07-21 WO claimed