SCHEMBL6665152

SCHEMBL6665152

CCCCCc1ccc(CCOC(F)(F)c2ccc([C@H]3CC[C@H](CCCCC)CC3)cc2F)c(F)c1

nearest known ligand 0.37

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
SPHK1 Q9NYA1 13/20 0.37
S1PR1 P21453 1/20 0.36
SPHK2 Q9NRA0 7/20 0.34
FFAR4 Q5NUL3 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
SCHEMBL6667739 0.96 SPHK1 (0.37) SPHK1S1PR1SPHK2
SCHEMBL6662712 0.96 SPHK1 (0.33) SPHK1S1PR1SPHK2
SCHEMBL6666356 0.91 SPHK1 (0.43) SPHK1S1PR1SPHK2
SCHEMBL6666704 0.90 SPHK1 (0.41) SPHK1S1PR1SPHK2FFAR4
SCHEMBL6666310 0.90 SPHK1 (0.34) SPHK1SPHK2
SCHEMBL6664184 0.90 CYP2C9 (0.34)
SCHEMBL6665405 0.88 SPHK1 (0.41) SPHK1SPHK2
SCHEMBL6661886 0.88 SPHK1 (0.43) SPHK1SPHK2
SCHEMBL6667708 0.88 SPHK1 (0.38) SPHK1SPHK2
SCHEMBL6666365 0.87 SPHK1 (0.33) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0893423-B1 LIQUID CRYSTAL COMPOUNDS HAVING FLUORINATED LINKAGES, LIQUID CRYSTAL COMPOSITIONS, AND LIQUID CRYSTAL DISPLAY DEVICES CHISSO CORP (JP) 2004-09-01 EP disclosed