SCHEMBL904263

SCHEMBL904263

COc1ccc([N+](=O)[O-])cc1-c1ccc(C(F)(F)F)cc1CO

nearest known ligand 0.52

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CETP P11597 9/20 0.52
TLR2 O60603 1/20 0.51
TLR1 Q15399 1/20 0.51
PTGDR2 Q9Y5Y4 6/20 0.45
TBXA2R P21731 2/20 0.45
PTGDR Q13258 2/20 0.45
TTR P02766 1/20 0.44
TDP1 Q9NUW8 1/20 0.43
GRK6 P43250 1/20 0.42

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
SCHEMBL904255 0.88 CETP (0.52) CETPPTGDR2TBXA2RPTGDRTDP1
SCHEMBL904261 0.81 CETP (0.49) CETPTLR2TLR1PTGDR2TBXA2R
SCHEMBL11414229 0.77 NOX1 (0.41) CETPTLR2TLR1PTGDR2TDP1
SCHEMBL531379 0.77 CETP (0.63) CETP
SCHEMBL904257 0.77 CETP (0.45) CETPPTGDR2TBXA2RPTGDR
SCHEMBL2501697 0.77 PTGDR2 (0.71) PTGDR2TBXA2RPTGDR
SCHEMBL132381 0.76 CETP (0.44) CETPPTGDR2TBXA2RPTGDR
SCHEMBL148769 0.76 PTGDR2 (0.61) CETPPTGDR2TBXA2RPTGDR
SCHEMBL10035026 0.75 ALDH1A1 (0.44) CETPTLR2TLR1
SCHEMBL30780913 0.75 TDP1 (0.58) TTRTDP1

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