SCHEMBL4242539

SCHEMBL4242539

CC(=O)OOc1ccc(SCC(C)c2sc(-c3ccc(C(F)(F)F)cc3)cc2C)cc1C

nearest known ligand 0.46

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
PPARD Q03181 20/20 0.46
PPARA Q07869 5/20 0.42
PPARG P37231 1/20 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
SCHEMBL3956263 0.85 PPARD (0.64) PPARDPPARAPPARG
SCHEMBL3953312 0.80 PPARD (0.45) PPARDPPARAPPARG
SCHEMBL3957943 0.72 AKR1C3 (0.41)
SCHEMBL13780397 0.72 AKR1C3 (0.41)
SCHEMBL5215348 0.70 PPARD (0.66) PPARDPPARAPPARG
SCHEMBL14432938 0.70 PPARD (0.66) PPARDPPARAPPARG
SCHEMBL5215360 0.70 PPARD (0.66) PPARDPPARAPPARG
SCHEMBL13780404 0.69 MAPT (0.45) PPARDPPARAPPARG
SCHEMBL3954260 0.68 PDE2A (0.40)
SCHEMBL5860831 0.68 PPARD (0.72) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7504433-B2 Thiophene derivative PPAR modulators ELI LILLY AND COMPANY (US) 2009-03-17 US claimed