SCHEMBL15451237

SCHEMBL15451237

CC(C)(NC(=O)NC(Cc1ccccc1)(c1cccc(OC(F)(F)F)c1)c1cccc(OC(F)(F)F)c1)C(=O)O

nearest known ligand 0.57

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CETP P11597 16/20 0.57
MAPK14 Q16539 1/20 0.43
PPARG P37231 1/20 0.39
PPARA Q07869 1/20 0.39
KIF11 P52732 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
SCHEMBL759264 0.92 CETP (0.55) CETPMAPK14
SCHEMBL760589 0.88 CETP (0.56) CETPMAPK14
SCHEMBL758518 0.88 CETP (0.56) CETPMAPK14
SCHEMBL760832 0.84 CETP (0.59) CETPMAPK14
SCHEMBL759575 0.84 CETP (0.54) CETPMAPK14
SCHEMBL760797 0.84 CETP (0.59) CETPMAPK14
SCHEMBL15451271 0.83 CETP (0.61) CETPMAPK14
SCHEMBL13560451 0.83 CETP (0.57) CETPMAPK14PPARGPPARAKIF11
SCHEMBL761626 0.83 CETP (0.55) CETPMAPK14PPARGPPARA
SCHEMBL3058249 0.83 CETP (0.55) CETPMAPK14PPARGPPARA

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-8642576-B2 Heterocyclic CETP inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2014-02-04 US claimed