Xylitol

Xylitol

SCHEMBL9745889

CCCCCCCC/C=C\CCCCCCCC(=O)OC[C@H](OC(=O)CCCCCCC/C=C\CCCCCCCC)[C@@H](COC(=O)CCCCCCC/C=C\CCCCCCCC)OC(=O)CCCCCCC/C=C\CCCCCCCC.OC[C@@H](O)[C@H](O)[C@@H](O)CO

nearest known ligand 0.67

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Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRKCA P17252 3/20 0.67
PRKCE Q02156 2/20 0.67
PRKCQ Q04759 2/20 0.67
PRKCD Q05655 2/20 0.67
DGKA P23743 1/20 0.67
FAAH O00519 2/20 0.57
LPAR1 Q92633 5/20 0.54
ENPP2 Q13822 2/20 0.54
LPAR4 Q99677 2/20 0.54
LPAR5 Q9H1C0 2/20 0.54
LPAR2 Q9HBW0 2/20 0.54
LPAR3 Q9UBY5 2/20 0.54
CES2 O00748 1/20 0.54
LPAR6 P43657 1/20 0.54
TRPV1 Q8NER1 1/20 0.54
SELP P16109 1/20 0.53
KDM4E B2RXH2 1/20 0.53
DUSP3 P51452 1/20 0.53
MEN1 O00255 1/20 0.53
KMT2A Q03164 1/20 0.53

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
SCHEMBL324360 0.94 PRKCA (0.66) PRKCAPRKCEPRKCQPRKCDDGKA
Glycerin SCHEMBL8503063 0.91 DGKA (0.68) PRKCAPRKCEPRKCQPRKCDDGKA
SCHEMBL11046699 0.90 DGKA (0.73) PRKCAPRKCEPRKCQPRKCDDGKA
SCHEMBL1795164 0.90 DGKA (0.73) PRKCAPRKCEPRKCQPRKCDDGKA
SCHEMBL11212203 0.89 PRKCA (0.67) PRKCAPRKCEPRKCQPRKCDDGKA
SCHEMBL9808782 0.89 PRKCA (0.67) PRKCAPRKCEPRKCQPRKCDDGKA
SCHEMBL27878028 0.88 PRKCA (0.65) PRKCAPRKCEPRKCQPRKCDDGKA
Glyceryl Trioleate SCHEMBL27263426 0.88 PRKCA (0.79) PRKCAPRKCEPRKCQPRKCDDGKA
Sorbitololeic Acid SCHEMBL30331597 0.87 DGKA (0.73) PRKCAPRKCEPRKCQPRKCDDGKA
Sorbitololeic Acid SCHEMBL41613 0.87 DGKA (0.73) PRKCAPRKCEPRKCQPRKCDDGKA

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
US-5064672-A 5-C-hydroxymethyl hexoses, bulking THE PROCTER & GAMBLE COMPANY (US) 1991-11-12 US claimed
EP-0341062-A2 Functional sugar substitutes with reduced calories THE PROCTER & GAMBLE COMPANY (US) 1989-11-08 EP claimed
US-5106967-A Esterified 5-C-hydroxymethyl hexose; bonding to mono- and disaccharides; foods, baked goods, beverages THE PROCTER & GAMBLE COMPANY (US) 1992-04-21 US disclosed
US-5064672-A 5-C-hydroxymethyl hexoses, bulking THE PROCTER & GAMBLE COMPANY (US) 1991-11-12 US disclosed
US-5041541-A 5-C-Hydroxymethylhexose Compounds THE PROCTER & GAMBLE COMPANY (US) 1991-08-20 US disclosed
EP-0341062-A2 Functional sugar substitutes with reduced calories THE PROCTER & GAMBLE COMPANY (US) 1989-11-08 EP disclosed