SCHEMBL13560451

SCHEMBL13560451

C[C](C)C(=O)NC(Cc1ccccc1)(c1cccc(OC(F)(F)F)c1)c1cccc(OC(F)(F)F)c1

nearest known ligand 0.57

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CETP P11597 15/20 0.57
MAPK14 Q16539 1/20 0.45
PPARG P37231 1/20 0.41
PPARA Q07869 1/20 0.41
KIF11 P52732 1/20 0.41

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
SCHEMBL13560381 0.91 CETP (0.60) CETPMAPK14PPARGPPARAKIF11
SCHEMBL760586 0.90 CETP (0.56) CETPMAPK14PPARGPPARAKIF11
SCHEMBL758962 0.87 CETP (0.53) CETPMAPK14
SCHEMBL759718 0.85 CETP (0.57) CETPMAPK14
SCHEMBL756613 0.85 CETP (0.58) CETPMAPK14
SCHEMBL760143 0.84 CETP (0.53) CETPMAPK14
SCHEMBL759097 0.84 CETP (0.53) CETPMAPK14
SCHEMBL761801 0.83 CETP (0.63) CETPMAPK14PPARGPPARA
SCHEMBL15451237 0.83 CETP (0.57) CETPMAPK14PPARGPPARAKIF11
SCHEMBL759575 0.83 CETP (0.54) CETPMAPK14

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-8304403-B2 Heterocyclic CETP inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2012-11-06 US claimed