SCHEMBL6665030

SCHEMBL6665030

C=CCC[C@H]1CC[C@H](c2ccc(C(F)(F)OCCc3ccc([C@H]4CC[C@H](CCCCC)CC4)cc3)c(F)c2)CC1

nearest known ligand 0.36

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
SPHK1 Q9NYA1 13/20 0.36
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
SCHEMBL6668707 0.99 SPHK1 (0.38) SPHK1SPHK2
SCHEMBL6661938 0.94 SPHK1 (0.36) SPHK1SPHK2
SCHEMBL6662904 0.94 CYP2C9 (0.35) SPHK1
SCHEMBL6665405 0.93 SPHK1 (0.41) SPHK1SPHK2
SCHEMBL6665332 0.93 SPHK1 (0.38) SPHK1SPHK2
SCHEMBL6665737 0.93 SPHK1 (0.38) SPHK1SPHK2
SCHEMBL6666032 0.92 ESR2 (0.30)
SCHEMBL6663476 0.92
SCHEMBL6667628 0.92 SPHK1 (0.40) SPHK1SPHK2
SCHEMBL6666214 0.92 SPHK1 (0.40) 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 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