SCHEMBL8748173

SCHEMBL8748173

CCCCC1CCC(c2ccc(CCc3ccc(OC(F)(F)F)c(F)c3)c(F)c2)CC1

nearest known ligand 0.41

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HCRTR1 O43613 6/20 0.34
HCRTR2 O43614 6/20 0.34
KCNH2 Q12809 1/20 0.34
EPHX2 P34913 2/20 0.33
PDE2A O00408 1/20 0.33
CTSK P43235 1/20 0.33
NAAA Q02083 1/20 0.33
SPHK1 Q9NYA1 1/20 0.33
P2RX7 Q99572 2/20 0.33
S1PR1 P21453 1/20 0.32

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
SCHEMBL8747919 0.97 SPHK1 (0.34) HCRTR1HCRTR2KCNH2EPHX2PDE2A
SCHEMBL8747938 0.96 SPHK1 (0.36) HCRTR1HCRTR2KCNH2SPHK1S1PR1
SCHEMBL8747937 0.96 SPHK1 (0.36) HCRTR1HCRTR2KCNH2SPHK1S1PR1
SCHEMBL8031354 0.94 CYP2C9 (0.36) HCRTR1HCRTR2KCNH2EPHX2PDE2A
SCHEMBL8048566 0.89 KCNH2 (0.39) HCRTR1HCRTR2KCNH2EPHX2PDE2A
SCHEMBL8748035 0.89 SPHK1 (0.37) HCRTR1HCRTR2EPHX2SPHK1
SCHEMBL8747943 0.88 FFAR4 (0.33) SPHK1
SCHEMBL9399817 0.87 GLA (0.37) SPHK1S1PR1
SCHEMBL8048717 0.87 KCNH2 (0.37) HCRTR1HCRTR2KCNH2EPHX2PDE2A
SCHEMBL8747945 0.86 SPHK1 (0.39) SPHK1

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