SCHEMBL6663119

SCHEMBL6663119

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

nearest known ligand 0.40

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
SPHK1 Q9NYA1 12/20 0.37
ALDH1A1 P00352 1/20 0.35
LMNA P02545 1/20 0.35
MAPT P10636 1/20 0.35
CYP2C9 P11712 1/20 0.34
SPHK2 Q9NRA0 7/20 0.33
MEN1 O00255 1/20 0.33
MAPK1 P28482 1/20 0.33
KMT2A Q03164 1/20 0.33
FFAR4 Q5NUL3 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
SCHEMBL6666429 0.92 ALDH1A1 (0.42) SPHK1ALDH1A1LMNAMAPTCYP2C9
SCHEMBL6665829 0.91 SPHK1 (0.39) SPHK1ALDH1A1LMNAMAPTCYP2C9
SCHEMBL6662985 0.90 SPHK1 (0.34) SPHK1ALDH1A1LMNAMAPTCYP2C9
SCHEMBL6663171 0.89 SPHK1 (0.34) SPHK1ALDH1A1LMNAMAPTCYP2C9
SCHEMBL6660734 0.89 SPHK1 (0.47) SPHK1ALDH1A1LMNAMAPTCYP2C9
SCHEMBL6666365 0.89 SPHK1 (0.33) SPHK1CYP2C9
SCHEMBL6666336 0.88 SPHK1 (0.33) SPHK1ALDH1A1LMNAMAPTCYP2C9
SCHEMBL6662824 0.88 SPHK1 (0.37) SPHK1ALDH1A1LMNAMAPTSPHK2
SCHEMBL6664073 0.88 SPHK1 (0.39) SPHK1ALDH1A1LMNAMAPTSPHK2
SCHEMBL6665632 0.87 SPHK1 (0.30) SPHK1

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