SCHEMBL6662985

SCHEMBL6662985

CCCCC[C@H]1CC[C@H](c2ccc(C(F)(F)OCCc3cc(F)c(OC(F)(F)F)c(F)c3)cc2)CC1

nearest known ligand 0.37

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
SPHK1 Q9NYA1 12/20 0.34
FFAR4 Q5NUL3 1/20 0.34
ALDH1A1 P00352 1/20 0.33
LMNA P02545 1/20 0.33
MAPT P10636 1/20 0.33
CYP2C9 P11712 1/20 0.32
SPHK2 Q9NRA0 7/20 0.31
MEN1 O00255 1/20 0.31
MAPK1 P28482 1/20 0.31
KMT2A Q03164 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
SCHEMBL6665467 0.93 ALDH1A1 (0.39) FFAR4ALDH1A1LMNAMAPTCYP2C9
SCHEMBL6663119 0.90 SPHK1 (0.37) SPHK1FFAR4ALDH1A1LMNAMAPT
SCHEMBL6663143 0.90 FFAR4 (0.31) SPHK1FFAR4
SCHEMBL6665395 0.89 SPHK1 (0.35) SPHK1SPHK2
SCHEMBL6666336 0.89 SPHK1 (0.33) SPHK1FFAR4ALDH1A1LMNAMAPT
SCHEMBL6661624 0.88
SCHEMBL6665829 0.87 SPHK1 (0.39) SPHK1ALDH1A1LMNAMAPTCYP2C9
SCHEMBL7729982 0.86 MAPT (0.35) SPHK1ALDH1A1LMNAMAPTCYP2C9
SCHEMBL7729978 0.86 MAPT (0.35) SPHK1ALDH1A1LMNAMAPTCYP2C9
SCHEMBL6663171 0.85 SPHK1 (0.34) SPHK1FFAR4ALDH1A1LMNAMAPT

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