SCHEMBL6663052

SCHEMBL6663052

CCCCCC1CCC(c2ccc(COC(F)(F)Cc3ccc(CCC)cc3F)cc2)CC1

nearest known ligand 0.37

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
SPHK1 Q9NYA1 13/20 0.37
SPHK2 Q9NRA0 7/20 0.33
S1PR1 P21453 1/20 0.32
CYP2C9 P11712 2/20 0.32
CYP3A4 P08684 1/20 0.31
CYP2C8 P10632 1/20 0.31
CYP2D6 P10635 1/20 0.31
CYP2C19 P33261 1/20 0.31
S1PR3 Q99500 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
SCHEMBL6666713 0.96 SPHK1 (0.41) SPHK1SPHK2S1PR1
SCHEMBL6662827 0.94 SPHK1 (0.38) SPHK1SPHK2S1PR1CYP2C9
SCHEMBL6662905 0.93 CYP2C9 (0.38) SPHK1CYP2C9
SCHEMBL6662934 0.92 SPHK1 (0.41) SPHK1SPHK2S1PR1CYP2C9
SCHEMBL6664083 0.92 SPHK1 (0.40) SPHK1SPHK2S1PR1CYP2C9
SCHEMBL6666958 0.89 SPHK1 (0.46) SPHK1SPHK2CYP2C9
SCHEMBL6667612 0.88 SPHK1 (0.40) SPHK1SPHK2S1PR1CYP2C9
SCHEMBL6665833 0.88 SPHK1 (0.38) SPHK1SPHK2CYP2C9
SCHEMBL6663127 0.87 SPHK1 (0.38) SPHK1SPHK2CYP2C9
SCHEMBL6663435 0.87 CYP2C9 (0.39) SPHK1CYP2C9

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