SCHEMBL8960729

SCHEMBL8960729

CCCCCCCCCc1ccc(-c2ccc(-c3ccc(C4CCC(C5CCC(CCCCC)CC5)CC4)c(F)c3)cc2)c(F)c1F

nearest known ligand 0.34

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
RARB P10826 3/20 0.34
RARA P10276 1/20 0.34
RARG P13631 1/20 0.34
OPRL1 P41146 8/20 0.33
DGAT1 O75907 1/20 0.33
MAPT P10636 2/20 0.32
GAA P10253 1/20 0.32
MEN1 O00255 1/20 0.30
TP53 P04637 1/20 0.30
CYP3A4 P08684 1/20 0.30
ALOX5 P09917 1/20 0.30
TYR P14679 1/20 0.30
ALOX15 P16050 1/20 0.30
TSHR P16473 1/20 0.30
HTT P42858 1/20 0.30
KMT2A Q03164 1/20 0.30
TDP1 Q9NUW8 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
SCHEMBL8960847 1.00 RARB (0.34) RARBRARARARGOPRL1DGAT1
SCHEMBL8961020 1.00 RARB (0.34) RARBRARARARGOPRL1DGAT1
SCHEMBL8960794 1.00 RARB (0.34) RARBRARARARGOPRL1DGAT1
SCHEMBL8961133 1.00 RARB (0.34) RARBRARARARGOPRL1DGAT1
SCHEMBL8960835 1.00 RARB (0.34) RARBRARARARGOPRL1DGAT1
SCHEMBL8961239 1.00 RARB (0.34) RARBRARARARGOPRL1DGAT1
SCHEMBL8960726 1.00 RARB (0.34) RARBRARARARGOPRL1DGAT1
SCHEMBL8960807 1.00 RARB (0.34) RARBRARARARGOPRL1DGAT1
SCHEMBL8960818 1.00 RARB (0.34) RARBRARARARGOPRL1DGAT1
SCHEMBL8960670 1.00 RARB (0.34) RARBRARARARGOPRL1DGAT1

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