SCHEMBL5708248

SCHEMBL5708248

CC(C)(Oc1ccc(SCCc2ccc3cn(-c4ccc(C(F)(F)F)cc4)nc3c2)cc1)C(=O)O

nearest known ligand 0.47

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 19/20 0.47
PPARD Q03181 17/20 0.47
PPARG P37231 8/20 0.44

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
SCHEMBL3964493 0.91 PPARA (0.48) PPARAPPARDPPARG
SCHEMBL5708235 0.89 PPARA (0.59) PPARAPPARDPPARG
SCHEMBL3964296 0.85 PPARA (0.50) PPARAPPARDPPARG
SCHEMBL3964759 0.85 PPARA (0.57) PPARAPPARDPPARG
SCHEMBL4183667 0.84 PPARA (0.48) PPARAPPARDPPARG
SCHEMBL3968731 0.84 PPARD (0.39) PPARAPPARDPPARG
SCHEMBL5708226 0.82 PPARA (0.59) PPARAPPARDPPARG
SCHEMBL3961082 0.81 PPARA (0.45) PPARAPPARDPPARG
SCHEMBL3966965 0.81 PPARD (0.57) PPARAPPARDPPARG
SCHEMBL5708244 0.80 PPARA (0.41) PPARAPPARDPPARG

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