SCHEMBL6665829

SCHEMBL6665829

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

nearest known ligand 0.39

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
SPHK1 Q9NYA1 13/20 0.39
SPHK2 Q9NRA0 7/20 0.35
ALDH1A1 P00352 1/20 0.34
LMNA P02545 1/20 0.34
MAPT P10636 1/20 0.34
CYP2C9 P11712 2/20 0.33
CYP3A4 P08684 1/20 0.32
CYP2C8 P10632 1/20 0.32
CYP2D6 P10635 1/20 0.32
CYP2C19 P33261 1/20 0.32
S1PR3 Q99500 1/20 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
SCHEMBL6662929 0.93 ALDH1A1 (0.41) SPHK1ALDH1A1LMNAMAPTCYP2C9
SCHEMBL6662824 0.91 SPHK1 (0.37) SPHK1SPHK2ALDH1A1LMNAMAPT
SCHEMBL6664073 0.91 SPHK1 (0.39) SPHK1SPHK2ALDH1A1LMNAMAPT
SCHEMBL6663119 0.91 SPHK1 (0.37) SPHK1SPHK2ALDH1A1LMNAMAPT
SCHEMBL6660734 0.90 SPHK1 (0.47) SPHK1SPHK2ALDH1A1LMNAMAPT
SCHEMBL6665395 0.89 SPHK1 (0.35) SPHK1SPHK2
SCHEMBL6666704 0.89 SPHK1 (0.41) SPHK1SPHK2ALDH1A1LMNAMAPT
SCHEMBL6666310 0.89 SPHK1 (0.34) SPHK1SPHK2CYP2C9CYP3A4CYP2C8
SCHEMBL6663042 0.89 SPHK1 (0.37) SPHK1SPHK2ALDH1A1LMNAMAPT
SCHEMBL6664018 0.89 SPHK1 (0.33) SPHK1SPHK2MAPTCYP2C9CYP3A4

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