SCHEMBL6666024

SCHEMBL6666024

CCCCC[C@H]1CC[C@H](c2ccc(C(F)(F)OCCc3ccc([C@H]4CC[C@H](C)CC4)cc3)c(F)c2F)CC1

nearest known ligand 0.37

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
SPHK1 Q9NYA1 13/20 0.37
SPHK2 Q9NRA0 7/20 0.34
CYP2C9 P11712 1/20 0.30

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
SCHEMBL6666372 1.00 SPHK1 (0.37) SPHK1SPHK2CYP2C9
SCHEMBL6667396 0.96 SPHK1 (0.40) SPHK1SPHK2CYP2C9
SCHEMBL6665024 0.94 SPHK1 (0.38) SPHK1SPHK2CYP2C9
SCHEMBL6660732 0.94 SPHK1 (0.38) SPHK1SPHK2CYP2C9
SCHEMBL6663916 0.94 SPHK1 (0.38) SPHK1SPHK2CYP2C9
SCHEMBL6663920 0.94 SPHK1 (0.38) SPHK1SPHK2CYP2C9
SCHEMBL6662118 0.93 CYP2C9 (0.36) SPHK1CYP2C9
SCHEMBL6666562 0.93 CYP2C9 (0.36) SPHK1CYP2C9
SCHEMBL6667734 0.91 ESR2 (0.31) SPHK1
SCHEMBL6665461 0.91 ESR2 (0.31) 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