SCHEMBL8943604

SCHEMBL8943604

CCCCCCCC1CCC(c2ccc(-c3ccc(-c4ccc(CC)c(F)c4F)cc3)c(F)c2)CO1

nearest known ligand 0.34

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
RARB P10826 1/20 0.34
ALOX5 P09917 1/20 0.33
EPHX1 P07099 1/20 0.33
FASN P49327 1/20 0.33
PPARG P37231 1/20 0.32
CYP1A2 P05177 2/20 0.32
ALDH1A1 P00352 1/20 0.32
GRM2 Q14416 2/20 0.31
S1PR1 P21453 6/20 0.31
SGPL1 O95470 4/20 0.31
CYP3A4 P08684 1/20 0.31
CYP2C9 P11712 1/20 0.31
APP P05067 1/20 0.31

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
SCHEMBL8943366 0.99 ALOX5 (0.33) RARBALOX5EPHX1FASNPPARG
SCHEMBL8943727 0.93 RARB (0.36) RARBALOX5EPHX1FASNALDH1A1
SCHEMBL8944253 0.93 RARB (0.36) RARBALOX5EPHX1FASNALDH1A1
SCHEMBL8944234 0.93 RARB (0.36) RARBALOX5EPHX1FASNALDH1A1
SCHEMBL8943432 0.93 RARB (0.36) RARBALOX5EPHX1FASNALDH1A1
SCHEMBL8943907 0.93 ALOX5 (0.34) RARBALOX5EPHX1FASNALDH1A1
SCHEMBL8943741 0.93 RARB (0.36) RARBALOX5EPHX1FASNALDH1A1
SCHEMBL8943434 0.93 RARB (0.36) RARBALOX5EPHX1FASNALDH1A1
SCHEMBL8944268 0.93 RARB (0.36) RARBALOX5EPHX1FASNALDH1A1
SCHEMBL8943410 0.93 RARB (0.36) RARBALOX5EPHX1FASNALDH1A1

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