SCHEMBL904262

SCHEMBL904262

COc1ccc(SC)cc1-c1ccc(C(F)(F)F)cc1CNC(C)C(SC=O)c1cc(C(F)(F)F)cc(C(F)(F)F)c1

nearest known ligand 0.44

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
CETP P11597 18/20 0.44
PTGDR2 Q9Y5Y4 2/20 0.40
NR1I2 O75469 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
SCHEMBL13413430 0.75 CETP (0.56) CETPNR1I2
SCHEMBL904254 0.74 CETP (0.43) CETPPTGDR2NR1I2
SCHEMBL15928258 0.73 CETP (0.58) CETPNR1I2
SCHEMBL5179065 0.73 CETP (0.60) CETPNR1I2
SCHEMBL532086 0.73 CETP (0.60) CETPNR1I2
SCHEMBL531717 0.73 CETP (0.58) CETPNR1I2
SCHEMBL904257 0.72 CETP (0.45) CETPPTGDR2
SCHEMBL3308361 0.70 CETP (0.63) CETPNR1I2
SCHEMBL531533 0.69 CETP (0.60) CETPNR1I2
SCHEMBL130307 0.68 CETP (0.67) CETPPTGDR2NR1I2

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-2012041253-A1 COMPOUNDS FOR INCREASE OF HDL-C LEVEL AND USES THEREOF ZHEJIANG BETA PHARMA INC. (CN) 2012-04-05 WO disclosed