SCHEMBL904261

SCHEMBL904261

COC(=O)c1cc(C(F)(F)F)ccc1-c1cc([N+](=O)[O-])ccc1OC

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CETP P11597 2/20 0.49
CFTR P13569 1/20 0.45
PKM P14618 1/20 0.43
HTT P42858 1/20 0.43
KMT2A Q03164 4/20 0.42
MEN1 O00255 3/20 0.42
ALDH1A1 P00352 3/20 0.42
CYP1A2 P05177 1/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2C19 P33261 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
MAPT P10636 2/20 0.42
POLB P06746 1/20 0.42
TBXA2R P21731 1/20 0.42
PTGDR Q13258 1/20 0.42
PTGDR2 Q9Y5Y4 1/20 0.42
TLR2 O60603 2/20 0.42
TLR1 Q15399 2/20 0.42
KCNMA1 Q12791 1/20 0.42
GRK6 P43250 1/20 0.41

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
SCHEMBL6650235 0.82 RORC (0.46) PKMHTTKMT2AMEN1ALDH1A1
SCHEMBL6650250 0.81 CTSV (0.52) PKMHTTKMT2AMEN1ALDH1A1
SCHEMBL6651351 0.81 LMNA (0.52) PKMHTTKMT2AMEN1ALDH1A1
SCHEMBL904263 0.81 CETP (0.52) CETPTDP1TBXA2RPTGDRPTGDR2
SCHEMBL29786763 0.80 CFTR (0.48) CETPCFTRKMT2AMEN1ALDH1A1
SCHEMBL6649874 0.80 KCNMA1 (0.55) PKMHTTKMT2AMEN1ALDH1A1
SCHEMBL10110458 0.79 CETP (0.58) CETPCFTR
SCHEMBL904252 0.79 CFTR (0.47) CETPCFTRHTTMAPTTBXA2R
SCHEMBL9068677 0.78 ALDH1A1 (0.54) PKMHTTKMT2AMEN1ALDH1A1
SCHEMBL12114840 0.78 RORC (0.54) PKMHTTKMT2AMEN1ALDH1A1

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