SCHEMBL5068484

SCHEMBL5068484

CCCCCc1ccc(OC(F)(F)c2ccc([C@H]3CC[C@H](CCC)CC3)cc2)cc1

nearest known ligand 0.50

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
SPHK1 Q9NYA1 13/20 0.50
SPHK2 Q9NRA0 7/20 0.45
ALDH1A1 P00352 1/20 0.42
LMNA P02545 1/20 0.42
MAPT P10636 1/20 0.42
CYP2C9 P11712 1/20 0.41
MEN1 O00255 1/20 0.39
MAPK1 P28482 1/20 0.39
KMT2A Q03164 1/20 0.39

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
SCHEMBL5069037 1.00 SPHK1 (0.50) SPHK1SPHK2ALDH1A1LMNAMAPT
SCHEMBL7736224 0.93 SPHK1 (0.43) SPHK1SPHK2ALDH1A1LMNAMAPT
SCHEMBL7736228 0.93 SPHK1 (0.43) SPHK1SPHK2ALDH1A1LMNAMAPT
SCHEMBL7734296 0.92 ALDH1A1 (0.44) SPHK1SPHK2ALDH1A1LMNAMAPT
SCHEMBL7734298 0.92 ALDH1A1 (0.44) SPHK1SPHK2ALDH1A1LMNAMAPT
SCHEMBL5068471 0.91 MAPT (0.45) SPHK1ALDH1A1LMNAMAPTCYP2C9
SCHEMBL5068469 0.91 MAPT (0.45) SPHK1ALDH1A1LMNAMAPTCYP2C9
SCHEMBL6663771 0.87 SPHK1 (0.51) SPHK1SPHK2ALDH1A1LMNAMAPT
SCHEMBL7729160 0.86 ALDH1A1 (0.47) ALDH1A1LMNAMAPTCYP2C9MEN1
SCHEMBL7729163 0.86 ALDH1A1 (0.47) ALDH1A1LMNAMAPTCYP2C9MEN1

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1043299-B1 Liquid crystalline compound, liquid crystal composition comprising the liquid crystalline compound, and liquid crystal display device using the liquid crystal composition CHISSO CORP (JP) 2008-10-15 EP disclosed
EP-0916639-B1 LIQUID CRYSTAL COMPOUNDS, LIQUID CRYSTAL COMPOSITIONS CONTAINING THE COMPOUNDS, AND LIQUID CRYSTAL DISPLAY DEVICES MADE BY USING THE COMPOSITIONS CHISSO CORP (JP) 2002-06-12 EP disclosed
US-6319570-B1 LIQUID CRYSTALS AND VISUAL AIDS FILM TRANSISTOR (TFT) DISPLAY MODE DEVELOP PREFERABLE PHYSICAL PROPERTIES CHISSO CORPORATION (JP) 2001-11-20 US disclosed
US-6190576-B1 MIXTURES CHISSO CORPORATION (JP) 2001-02-20 US disclosed
EP-1043299-A2 Liquid crystalline compound, liquid crystal composition comprising the liquid crystalline compound, and liquid crystal display device using the liquid crystal composition CHISSO CORPORATION (JP) 2000-10-11 EP disclosed
EP-0916639-A1 LIQUID CRYSTAL COMPOUNDS, LIQUID CRYSTAL COMPOSITIONS CONTAINING THE COMPOUNDS, AND LIQUID CRYSTAL DISPLAY DEVICES MADE BY USING THE COMPOSITIONS CHISSO CORPORATION (JP) 1999-05-19 EP disclosed