SCHEMBL8540895

SCHEMBL8540895

CCCCCCO[C@H]1CC[C@H](O)[C@@H](C(F)(F)F)O1

nearest known ligand 0.40

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PTAFR P25105 1/20 0.40
GBA1 P04062 5/20 0.39
CES2 O00748 1/20 0.36
CES1 P23141 1/20 0.36
ALDH1A1 P00352 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
TNF P01375 1/20 0.33
SPHK2 Q9NRA0 1/20 0.33
SPHK1 Q9NYA1 1/20 0.33
GBA2 Q9HCG7 6/20 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
SCHEMBL8540099 1.00 PTAFR (0.40) PTAFRGBA1CES2CES1ALDH1A1
SCHEMBL8544017 1.00 PTAFR (0.40) PTAFRGBA1CES2CES1ALDH1A1
SCHEMBL8755757 1.00 PTAFR (0.40) PTAFRGBA1CES2CES1ALDH1A1
SCHEMBL9270382 1.00 PTAFR (0.40) PTAFRGBA1CES2CES1ALDH1A1
SCHEMBL9402754 1.00 PTAFR (0.40) PTAFRGBA1CES2CES1ALDH1A1
SCHEMBL8541049 1.00 PTAFR (0.40) PTAFRGBA1CES2CES1ALDH1A1
SCHEMBL8540008 0.94 PTAFR (0.34) PTAFRGBA1
SCHEMBL8537995 0.94 PTAFR (0.34) PTAFRGBA1
SCHEMBL8755760 0.94 PTAFR (0.34) PTAFRGBA1
SCHEMBL8541033 0.94 PTAFR (0.34) PTAFRGBA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0594861-B1 OPTICALLY ACTIVE TETRAHYDROPYRAN DERIVATIVE, AND LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL ELEMENT BOTH CONTAINING THE SAME KASHIMA OIL (JP) 1998-03-18 EP disclosed
US-5443755-A Optically active tetrahydropyrane derivatives, liquid crystal composition and liquid crystal device containing the same KASHIMA OIL COMPANY (JP) 1995-08-22 US disclosed
US-5368771-A Enantiomorphs KASHIMA OIL COMPANY (JP) 1994-11-29 US disclosed
EP-0594861-A1 OPTICALLY ACTIVE TETRAHYDROPYRAN DERIVATIVE, AND LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL ELEMENT BOTH CONTAINING THE SAME KASHIMA OIL COMPANY (JP) 1994-05-04 EP disclosed