SCHEMBL4847533

SCHEMBL4847533

CC1(C)OB(c2ccc(C(F)(F)F)cc2CN(Cc2cc(C(F)(F)F)cc(C(F)(F)F)c2)C(=O)O)OC1(C)C

nearest known ligand 0.46

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CETP P11597 11/20 0.46
GPBAR1 Q8TDU6 6/20 0.41
TACR1 P25103 2/20 0.38
TBXA2R P21731 1/20 0.38
PTGDR Q13258 1/20 0.38
PTGDR2 Q9Y5Y4 1/20 0.38

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
SCHEMBL1896128 0.89 CETP (0.59) CETPTBXA2RPTGDRPTGDR2
SCHEMBL17387585 0.88 PTGDR2 (0.40) CETPTBXA2RPTGDRPTGDR2
SCHEMBL1922337 0.86 GPBAR1 (0.45) CETPGPBAR1TBXA2RPTGDRPTGDR2
SCHEMBL1921901 0.82 PTGDR2 (0.47) PTGDR2
SCHEMBL154820 0.81 PTGDR2 (0.45) CETPTBXA2RPTGDRPTGDR2
SCHEMBL153236 0.81 HDAC1 (0.41) CETPGPBAR1TBXA2RPTGDRPTGDR2
SCHEMBL1896131 0.80 TACR1 (0.39) CETPTACR1
SCHEMBL3557843 0.80 CETP (0.50) CETPGPBAR1TACR1
SCHEMBL13428453 0.79 PTGDR2 (0.45) CETPGPBAR1TBXA2RPTGDRPTGDR2
SCHEMBL151745 0.78 PTGDR2 (0.39) CETPTBXA2RPTGDRPTGDR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1951053-A2 CETP INHIBITORS Merck & Co., Inc. (US) 2008-08-06 EP disclosed
WO-2007047591-A2 CETP INHIBITORS MERCK & CO., INC. (US) 2007-04-26 WO disclosed