SCHEMBL12648592

SCHEMBL12648592

Cc1cc(C(=O)CCc2sc(-c3ccc(C(F)(F)F)cc3)nc2CN2CCN(c3ccc(C(C)C)cc3)CC2)ccc1OC(C)(C)C=O

nearest known ligand 0.46

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
PPARD Q03181 16/20 0.46
PPARA Q07869 13/20 0.46
PPARG P37231 7/20 0.39
CETP P11597 2/20 0.39
MAPT P10636 1/20 0.35

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
SCHEMBL24743127 0.92 PPARD (0.46) PPARDPPARAPPARGCETPMAPT
SCHEMBL1765852 0.92 PPARD (0.57) PPARDPPARAPPARGCETP
SCHEMBL30004379 0.92 PPARD (0.46) PPARDPPARAPPARGCETPMAPT
SCHEMBL4515137 0.91 PPARD (0.48) PPARDPPARAPPARGCETPMAPT
SCHEMBL4511561 0.88 CETP (0.43) PPARDPPARAPPARGCETPMAPT
SCHEMBL4510684 0.87 PPARD (0.62) PPARDPPARAPPARGCETP
SCHEMBL4501758 0.85 PPARD (0.60) PPARDPPARAPPARGCETP
SCHEMBL4520214 0.85 PPARD (0.52) PPARDPPARAPPARGCETPMAPT
SCHEMBL12732562 0.85 PPARD (0.46) PPARDPPARAPPARG
SCHEMBL4522087 0.85 PPARD (0.59) PPARDPPARAPPARGCETP

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
WO-2011020001-A9 USE OF PPAR DELTA LIGANDS FOR THE TREATMENT OR PREVENTION OF INFLAMMATION OR ENERGY METABOLISM/PRODUCTION RELATED DISEASES CERENIS THERAPEUTICS S.A. (FR) 2011-05-26 WO disclosed