SCHEMBL17898349

SCHEMBL17898349

CCCC1CCC(CCCOc2ccc(-c3ccc(C4CCC(C)CC4)c(F)c3F)cc2)CC1

nearest known ligand 0.35

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 9/20 0.34
HPGD P15428 1/20 0.34
CHRM2 P08172 1/20 0.34
CHRM4 P08173 1/20 0.34
CHRM5 P08912 1/20 0.34
CHRM1 P11229 1/20 0.34
CHRM3 P20309 1/20 0.34
MAOB P27338 1/20 0.33
RAB9A P51151 1/20 0.33
HRH2 P25021 1/20 0.33
HRH1 P35367 1/20 0.33
KDM4E B2RXH2 1/20 0.33
RECQL P46063 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
FFAR4 Q5NUL3 1/20 0.32
ALOX5AP P20292 1/20 0.32
FEN1 P39748 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
SCHEMBL17898350 0.93 HPGD (0.35) HRH3HPGDCHRM2CHRM4CHRM5
SCHEMBL17897397 0.93 CHRM2 (0.36) HRH3CHRM2CHRM4CHRM5CHRM1
SCHEMBL17897396 0.92 HTR2A (0.37) HRH3HPGDCHRM2CHRM4CHRM5
SCHEMBL17898353 0.91 HRH3 (0.36) HRH3HPGDHRH2HRH1KDM4E
SCHEMBL17898351 0.91 HRH3 (0.34) HRH3HPGDCHRM2CHRM4CHRM5
SCHEMBL15581217 0.88 ALOX5AP (0.34) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL15581216 0.87 ALOX5AP (0.34) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL17084292 0.87 RARB (0.38) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL17084295 0.87 RARB (0.38) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL17897362 0.87 CHRM2 (0.37) CHRM2CHRM4CHRM5CHRM1CHRM3

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-20160194561-A1 DIFLUOROPHENYL LIQUID CRYSTAL COMPOSITION DIC CORPORATION (JP) 2016-07-07 US disclosed