SCHEMBL8946932

SCHEMBL8946932

CCCCCCOc1ccc(-c2ccc(-c3ccc(C4CCC(CCC)OC4)c(F)c3F)cc2)c(F)c1F

nearest known ligand 0.35

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
FPR2 P25090 8/20 0.35
ALDH1A1 P00352 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
PTPN11 Q06124 2/20 0.30
CHRM2 P08172 1/20 0.30
CHRM4 P08173 1/20 0.30
CHRM5 P08912 1/20 0.30
CHRM1 P11229 1/20 0.30
CHRM3 P20309 1/20 0.30

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
SCHEMBL8946902 1.00 FPR2 (0.35) FPR2ALDH1A1TDP1PTPN11CHRM2
SCHEMBL8946909 1.00 FPR2 (0.35) FPR2ALDH1A1TDP1PTPN11CHRM2
SCHEMBL8946940 0.99 FPR2 (0.36) FPR2CHRM2CHRM4CHRM5CHRM1
SCHEMBL8947351 0.96 FPR2 (0.35) FPR2ALDH1A1TDP1PTPN11CHRM2
SCHEMBL8947273 0.96 FPR2 (0.35) FPR2ALDH1A1TDP1PTPN11CHRM2
SCHEMBL8947339 0.96 FPR2 (0.35) FPR2ALDH1A1TDP1PTPN11CHRM2
SCHEMBL8947358 0.96 FPR2 (0.35) FPR2ALDH1A1TDP1PTPN11CHRM2
SCHEMBL8947324 0.96 FPR2 (0.35) FPR2ALDH1A1TDP1PTPN11CHRM2
SCHEMBL8947190 0.96 FPR2 (0.35) FPR2ALDH1A1TDP1PTPN11CHRM2
SCHEMBL8947180 0.96 FPR2 (0.35) FPR2ALDH1A1TDP1PTPN11CHRM2

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-8187494-B2 Four- or five-ring liquid crystal compound having lateral fluorine, liquid crystal composition, and liquid crystal display device JNC CORPORATION (JP) 2012-05-29 US disclosed