SCHEMBL904255

SCHEMBL904255

COc1ccc([N+](=O)[O-])cc1-c1ccc(C(F)(F)F)cc1CBr

nearest known ligand 0.52

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CETP P11597 13/20 0.52
TDP1 Q9NUW8 1/20 0.43
PTGDR2 Q9Y5Y4 3/20 0.42
TBXA2R P21731 2/20 0.42
PTGDR Q13258 2/20 0.42
LMNA P02545 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
HTT P42858 1/20 0.41
NR1I2 O75469 1/20 0.40

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
SCHEMBL904263 0.88 CETP (0.52) CETPTDP1PTGDR2TBXA2RPTGDR
SCHEMBL904261 0.78 CETP (0.49) CETPTDP1PTGDR2TBXA2RPTGDR
SCHEMBL531538 0.78 CETP (0.61) CETPNR1I2
SCHEMBL11414229 0.77 NOX1 (0.41) CETPTDP1PTGDR2
SCHEMBL904254 0.77 CETP (0.43) CETPPTGDR2TBXA2RPTGDRNR1I2
SCHEMBL922726 0.75 TDP1 (0.58) TDP1LMNASMN1; SMN2HTT
SCHEMBL29560265 0.75 TDP1 (0.58) TDP1LMNASMN1; SMN2HTT
SCHEMBL149712 0.75 PTGDR2 (0.60) CETPPTGDR2TBXA2RPTGDR
SCHEMBL30002118 0.75 HDAC3 (0.46) CETP
SCHEMBL40098 0.75 HDAC3 (0.46) CETP

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