SCHEMBL8747937

SCHEMBL8747937

CCCCCCCC1CCC(c2ccc(CCc3ccc(OC(F)(F)F)c(F)c3)c(F)c2)CC1

nearest known ligand 0.40

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
SPHK1 Q9NYA1 11/20 0.36
HCRTR1 O43613 2/20 0.33
HCRTR2 O43614 2/20 0.33
S1PR1 P21453 1/20 0.33
KCNH2 Q12809 1/20 0.33
SPHK2 Q9NRA0 7/20 0.33

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
SCHEMBL8747938 1.00 SPHK1 (0.36) SPHK1HCRTR1HCRTR2S1PR1KCNH2
SCHEMBL8747919 0.99 SPHK1 (0.34) SPHK1HCRTR1HCRTR2S1PR1KCNH2
SCHEMBL8748173 0.96 HCRTR1 (0.34) SPHK1HCRTR1HCRTR2S1PR1KCNH2
SCHEMBL8031354 0.92 CYP2C9 (0.36) HCRTR1HCRTR2KCNH2
SCHEMBL8748080 0.89 SPHK1 (0.40) SPHK1SPHK2
SCHEMBL8748059 0.89 SPHK1 (0.40) SPHK1SPHK2
SCHEMBL9399817 0.89 GLA (0.37) SPHK1S1PR1
SCHEMBL8747923 0.88 SPHK1 (0.35) SPHK1S1PR1SPHK2
SCHEMBL8748023 0.88 SPHK1 (0.35) SPHK1S1PR1SPHK2
SCHEMBL8747945 0.88 SPHK1 (0.39) SPHK1SPHK2

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1153807-A Liquid crystalline compound replaced by fluorine containing group, liquid crystal composition, and liquid crystal display device CHISSO CORP (JP) 1997-07-09 CN disclosed
EP-0761799-A1 Liquid crystalline compound substituted with fluorine containing group, liquid crystal composition, and liquid crystal display device Chisso Corporation (JP) 1997-03-12 EP disclosed