SCHEMBL6664085

SCHEMBL6664085

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

nearest known ligand 0.35

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
SPHK1 Q9NYA1 12/20 0.34
HCRTR1 O43613 1/20 0.32
HCRTR2 O43614 1/20 0.32
SPHK2 Q9NRA0 7/20 0.31
ALDH1A1 P00352 1/20 0.31
LMNA P02545 1/20 0.31
MAPT P10636 1/20 0.31
CACNA1H O95180 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
SCHEMBL6666020 0.94 ALDH1A1 (0.36) HCRTR1HCRTR2ALDH1A1LMNAMAPT
SCHEMBL6666336 0.89 SPHK1 (0.33) SPHK1SPHK2ALDH1A1LMNAMAPT
SCHEMBL6665395 0.89 SPHK1 (0.35) SPHK1HCRTR1HCRTR2SPHK2
SCHEMBL17225144 0.89 SPHK1 (0.42) SPHK1HCRTR1HCRTR2SPHK2
SCHEMBL6665829 0.88 SPHK1 (0.39) SPHK1SPHK2ALDH1A1LMNAMAPT
SCHEMBL6663446 0.86 SPHK1 (0.40) SPHK1SPHK2
SCHEMBL6662824 0.85 SPHK1 (0.37) SPHK1SPHK2ALDH1A1LMNAMAPT
SCHEMBL7734948 0.85 IDO1 (0.33) SPHK1ALDH1A1LMNAMAPT
SCHEMBL6664073 0.85 SPHK1 (0.39) SPHK1SPHK2ALDH1A1LMNAMAPT
SCHEMBL7734954 0.85 IDO1 (0.33) SPHK1ALDH1A1LMNAMAPT

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