SCHEMBL8748217

SCHEMBL8748217

CCCCCC1CCC(c2ccc(CCc3cc(F)c(C(F)(F)F)c(F)c3)c(F)c2)CC1

nearest known ligand 0.38

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
SPHK1 Q9NYA1 12/20 0.36
CYP2C9 P11712 1/20 0.32
SPHK2 Q9NRA0 7/20 0.32
DAO P14920 1/20 0.32
MAPT P10636 2/20 0.31
GAA P10253 1/20 0.31
RORC P51449 1/20 0.31
ALDH1A1 P00352 1/20 0.31
LMNA P02545 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
SCHEMBL8748190 0.99 SPHK1 (0.38) SPHK1CYP2C9SPHK2DAOMAPT
SCHEMBL8747894 0.99 SPHK1 (0.38) SPHK1CYP2C9SPHK2DAOMAPT
SCHEMBL8748020 0.97 SPHK1 (0.34) SPHK1CYP2C9SPHK2DAOMAPT
SCHEMBL8747872 0.92 CYP2C9 (0.39) SPHK1CYP2C9DAOMAPTRORC
SCHEMBL13636664 0.88 CYP2C9 (0.38) SPHK1CYP2C9SPHK2MAPTRORC
SCHEMBL8747876 0.87 SPHK1 (0.37) SPHK1CYP2C9SPHK2DAO
SCHEMBL8034379 0.87 SLC6A2 (0.32) DAORORC
SCHEMBL8748038 0.87 SPHK1 (0.41) SPHK1SPHK2
SCHEMBL8453187 0.87 SPHK1 (0.35) SPHK1CYP2C9SPHK2MAPTGAA
SCHEMBL8453192 0.87 SPHK1 (0.35) SPHK1CYP2C9SPHK2MAPTGAA

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-0761799-A1 Liquid crystalline compound substituted with fluorine containing group, liquid crystal composition, and liquid crystal display device Chisso Corporation (JP) 1997-03-12 EP disclosed