SCHEMBL6667092

SCHEMBL6667092

CCCCC[C@H]1CC[C@H](c2ccc(C(F)(F)OCCc3ccc(C#N)c(F)c3)cc2)CC1

nearest known ligand 0.35

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
SPHK1 Q9NYA1 7/20 0.35
AOC3 Q16853 1/20 0.34
KDM1A O60341 9/20 0.33
RORC P51449 1/20 0.32
SPHK2 Q9NRA0 3/20 0.32

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
SCHEMBL6661202 0.93 ALDH1A1 (0.37) AOC3KDM1ARORC
SCHEMBL6661155 0.90 AOC3 (0.33) SPHK1AOC3KDM1A
SCHEMBL6663816 0.90 KDM1A (0.33) AOC3KDM1A
SCHEMBL6663171 0.89 SPHK1 (0.34) SPHK1SPHK2
SCHEMBL6665829 0.88 SPHK1 (0.39) SPHK1SPHK2
SCHEMBL10646538 0.87 SPHK1 (0.43) SPHK1AOC3SPHK2
SCHEMBL10646535 0.87 SPHK1 (0.43) SPHK1AOC3SPHK2
SCHEMBL10648125 0.86 SPHK1 (0.45) SPHK1AOC3SPHK2
SCHEMBL10648129 0.86 SPHK1 (0.45) SPHK1AOC3SPHK2
SCHEMBL6662824 0.86 SPHK1 (0.37) 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