SCHEMBL6054525

SCHEMBL6054525

CC(C)(C)c1cc(SCc2cccc(OC(F)(F)F)c2)cc(C(C)(C)C)c1O

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CETP P11597 8/20 0.43
EPHX1 P07099 1/20 0.42
CHRM2 P08172 1/20 0.40
CHRM1 P11229 1/20 0.40
CHRM3 P20309 1/20 0.40
VNN1 O95497 1/20 0.39
HPN P05981 1/20 0.39
MAPT P10636 1/20 0.39
ALOX15 P16050 1/20 0.39
SIRT5 Q9NXA8 1/20 0.39
FEN1 P39748 1/20 0.38
CNR1 P21554 1/20 0.38
DAO P14920 1/20 0.38
GRIN2B Q13224 1/20 0.37
MAPK14 Q16539 1/20 0.37

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
SCHEMBL6054540 0.81 DAO (0.54) EPHX1HPNMAPTALOX15SIRT5
SCHEMBL8496233 0.76 MAPT (0.55) HPNMAPTALOX15SIRT5DAO
SCHEMBL5367845 0.75 EPHX1 (0.46) CETPEPHX1CHRM2CHRM1CHRM3
SCHEMBL9417690 0.74 DAO (0.43) EPHX1HPNMAPTALOX15SIRT5
SCHEMBL5526402 0.73 CHRM2 (0.50) CETPEPHX1CHRM2CHRM1CHRM3
SCHEMBL6054593 0.73 PTGS1 (0.50) HPNMAPTALOX15SIRT5DAO
SCHEMBL8698399 0.71 PTGS1 (0.49) HPNMAPTALOX15SIRT5DAO
SCHEMBL5526398 0.70 EPHX1 (0.48) CETPEPHX1CHRM2CHRM1CHRM3
SCHEMBL8767800 0.70 PPARA (0.52) MAPT
SCHEMBL6054536 0.70 MAPT (0.51) MAPT

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
EP-1137948-B1 METHODS AND COMPOSITIONS TO LOWER PLASMA CHOLESTEROL LEVELS ATHEROGENICS INC (US) 2006-05-10 EP disclosed