SCHEMBL4004243

SCHEMBL4004243

COc1ccc(C(C)C)cc1-c1ccc(C(F)(F)F)cc1Cc1ccc(C(F)(F)F)cc1C(F)(F)F

nearest known ligand 0.56

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
CETP P11597 20/20 0.56
NR1I2 O75469 1/20 0.52

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
SCHEMBL531538 0.84 CETP (0.61) CETPNR1I2
SCHEMBL17965460 0.83 CETP (0.60) CETPNR1I2
SCHEMBL531379 0.83 CETP (0.63) CETPNR1I2
SCHEMBL133988 0.83 CETP (0.60) CETPNR1I2
SCHEMBL4011739 0.80 CETP (0.67) CETPNR1I2
SCHEMBL5165035 0.79 CETP (0.54) CETPNR1I2
SCHEMBL532253 0.79 CETP (0.53) CETPNR1I2
SCHEMBL5178919 0.79 CETP (0.56) CETPNR1I2
SCHEMBL23846705 0.78 CETP (0.53) CETPNR1I2
SCHEMBL29786780 0.78 CETP (0.53) CETPNR1I2

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1737811-A4 CETP INHIBITORS MERCK & CO INC (US) 2009-06-17 EP disclosed
EP-1737811-A1 CETP INHIBITORS Merck & Co., Inc. (US) 2007-01-03 EP disclosed
WO-2005100298-A1 CETP INHIBITORS MERCK & CO., INC. (US) 2005-10-27 WO disclosed