SCHEMBL5708201

SCHEMBL5708201

CCc1cc(SC(C)Cc2cccc3cn(-c4ccc(C(F)(F)F)cc4)nc23)ccc1OCC(=O)O

nearest known ligand 0.46

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
PPARD Q03181 20/20 0.46
PPARA Q07869 3/20 0.42

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
SCHEMBL13791623 0.88 PPARD (0.43) PPARDPPARA
SCHEMBL3970887 0.88 PPARD (0.48) PPARDPPARA
SCHEMBL3962003 0.87 PPARD (0.43) PPARDPPARA
SCHEMBL3961105 0.83 PPARD (0.41) PPARDPPARA
SCHEMBL3965152 0.81 PPARD (0.57) PPARDPPARA
SCHEMBL3963872 0.80 PPARD (0.51) PPARDPPARA
SCHEMBL3964310 0.79 PPARD (0.52) PPARDPPARA
SCHEMBL5708179 0.79 PPARD (0.46) PPARDPPARA
SCHEMBL13791771 0.79 PPARD (0.38) PPARDPPARA
SCHEMBL3967850 0.78 PPARD (0.47) PPARDPPARA

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 disclosed
WO-2005066136-A1 BICYCLIC DERIVATIVES AS PPAR MODULATORS ELI LILLY AND COMPANY (US) 2005-07-21 WO disclosed