SCHEMBL8943366

SCHEMBL8943366

CCCCCC1CCC(c2ccc(-c3ccc(-c4ccc(CC)c(F)c4F)cc3)c(F)c2)CO1

nearest known ligand 0.33

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 1/20 0.33
FASN P49327 1/20 0.33
RARB P10826 1/20 0.33
CYP3A4 P08684 2/20 0.31
CYP2C9 P11712 2/20 0.31
APP P05067 2/20 0.31
EPHX1 P07099 1/20 0.31
CYP2D6 P10635 1/20 0.31
CYP2C19 P33261 1/20 0.31
PPARG P37231 1/20 0.30
CYP1A2 P05177 2/20 0.30
GRM2 Q14416 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
SCHEMBL8943604 0.99 RARB (0.34) ALOX5FASNRARBCYP3A4CYP2C9
SCHEMBL8943916 0.93 ALOX5 (0.35) ALOX5FASNRARBEPHX1
SCHEMBL8943437 0.93 ALOX5 (0.35) ALOX5FASNRARBEPHX1
SCHEMBL8943343 0.93 ALOX5 (0.35) ALOX5FASNRARBEPHX1
SCHEMBL8943113 0.93 ALOX5 (0.35) ALOX5FASNCYP3A4CYP2C9APP
SCHEMBL18718626 0.93 ALOX5 (0.35) ALOX5EPHX1PPARGCYP1A2GRM2
SCHEMBL8943727 0.92 RARB (0.36) ALOX5FASNRARBEPHX1
SCHEMBL8943434 0.92 RARB (0.36) ALOX5FASNRARBEPHX1
SCHEMBL8944253 0.92 RARB (0.36) ALOX5FASNRARBEPHX1
SCHEMBL8943907 0.92 ALOX5 (0.34) ALOX5FASNRARBEPHX1

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