SCHEMBL14766876

SCHEMBL14766876

CCCCOc1ccc(-c2ccc(C3CCC(COc4ccc(OCCCC)c(F)c4F)CC3)c(F)c2F)cc1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX5AP P20292 3/20 0.36
FEN1 P39748 3/20 0.36
CHRM2 P08172 1/20 0.36
CHRM4 P08173 1/20 0.36
CHRM5 P08912 1/20 0.36
CHRM1 P11229 1/20 0.36
CHRM3 P20309 1/20 0.36
FFAR4 Q5NUL3 3/20 0.34
CYP2D6 P10635 3/20 0.33
CYP3A4 P08684 2/20 0.33
CYP1A2 P05177 2/20 0.33
RAB9A P51151 1/20 0.33
CYP19A1 P11511 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33
SSTR5 P35346 1/20 0.33
KCNH2 Q12809 1/20 0.33
FFAR1 O14842 1/20 0.32
PPARD Q03181 1/20 0.32
SCN9A Q15858 1/20 0.32

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
SCHEMBL14766079 1.00 ALOX5AP (0.36) ALOX5APFEN1CHRM2CHRM4CHRM5
SCHEMBL14767071 0.98 ALOX5AP (0.35) ALOX5APFEN1CHRM2CHRM4CHRM5
SCHEMBL14765819 0.98 ALOX5AP (0.35) ALOX5APFEN1CHRM2CHRM4CHRM5
SCHEMBL14765746 0.97 ALOX5AP (0.36) ALOX5APFEN1CHRM2CHRM4CHRM5
SCHEMBL14765765 0.97 ALOX5AP (0.36) ALOX5APFEN1CHRM2CHRM4CHRM5
SCHEMBL429829 0.95 SSTR5 (0.37) ALOX5APFEN1CHRM2CHRM4CHRM5
SCHEMBL14765994 0.93 ALOX5AP (0.33) ALOX5APFEN1CHRM2CHRM4CHRM5
SCHEMBL14767182 0.93 ALOX5AP (0.33) ALOX5APFEN1CHRM2CHRM4CHRM5
SCHEMBL12740718 0.93 FEN1 (0.36) ALOX5APFEN1FFAR4SCN9AKDM1A
SCHEMBL12736014 0.93 FEN1 (0.36) ALOX5APFEN1FFAR4SCN9AKDM1A

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
US-8394294-B2 Four-ring liquid crystal compound having lateral fluorine, liquid crystal composition and liquid crystal display device JNC CORPORATION (JP) 2013-03-12 US disclosed