SCHEMBL6663446

SCHEMBL6663446

CCCCC[C@H]1CC[C@H](c2ccc(C(F)(F)OCCc3ccc(OC(F)F)cc3)cc2)CC1

nearest known ligand 0.40

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
SPHK1 Q9NYA1 13/20 0.40
IDO1 P14902 1/20 0.38
SPHK2 Q9NRA0 7/20 0.36

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
SCHEMBL6665144 0.93 ALDH1A1 (0.40) SPHK1IDO1SPHK2
SCHEMBL6660734 0.91 SPHK1 (0.47) SPHK1SPHK2
SCHEMBL6666951 0.88 SPHK1 (0.45) SPHK1SPHK2
SCHEMBL6661879 0.88 SPHK1 (0.45) SPHK1SPHK2
SCHEMBL6667371 0.88 SPHK1 (0.45) SPHK1SPHK2
SCHEMBL6665735 0.88 SPHK1 (0.51) SPHK1SPHK2
SCHEMBL9062472 0.88 SPHK1 (0.47) SPHK1IDO1SPHK2
SCHEMBL9062474 0.88 SPHK1 (0.47) SPHK1IDO1SPHK2
SCHEMBL6665027 0.88 SPHK1 (0.41) SPHK1SPHK2
SCHEMBL6667712 0.87 SPHK1 (0.44) 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