SCHEMBL8942087

SCHEMBL8942087

CCCCOc1ccc(-c2ccc(-c3ccc(C4CCC(CCC)CO4)c(F)c3F)cc2)c(F)c1F

nearest known ligand 0.33

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
FASN P49327 1/20 0.33
CHRM2 P08172 1/20 0.31
CHRM4 P08173 1/20 0.31
CHRM5 P08912 1/20 0.31
CHRM1 P11229 1/20 0.31
CHRM3 P20309 1/20 0.31
FPR2 P25090 1/20 0.31
ESR1 P03372 1/20 0.30
RARB P10826 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
SCHEMBL8942066 0.97 FASN (0.32) FASNFPR2
SCHEMBL8942270 0.96 FASN (0.32) FASNFPR2
SCHEMBL8941994 0.96 FASN (0.32) FASNFPR2
SCHEMBL8942176 0.96 FASN (0.32) FASNFPR2
SCHEMBL8942089 0.96 FASN (0.32) FASNFPR2
SCHEMBL8942593 0.95 CHRM2 (0.31) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL8942050 0.95 FPR2 (0.35) FASNFPR2
SCHEMBL8942805 0.94 PTPN11 (0.30) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL8942055 0.94 FASN (0.34) FASNFPR2
SCHEMBL8942560 0.93 FPR2 (0.32) FPR2

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