SCHEMBL9716949

SCHEMBL9716949

CCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCCCC)OC(=O)C(C)C

nearest known ligand 0.78

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.78
LMNA P02545 1/20 0.78
PRKCA P17252 4/20 0.67
PRKCE Q02156 2/20 0.67
PRKCQ Q04759 2/20 0.67
PRKCD Q05655 2/20 0.67
MAPT P10636 1/20 0.65
LPAR3 Q9UBY5 7/20 0.62
LPAR1 Q92633 4/20 0.62
ENPP2 Q13822 3/20 0.62
SMN1; SMN2 Q16637 1/20 0.62
LPAR2 Q9HBW0 2/20 0.61

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
SCHEMBL9716954 1.00 ALDH1A1 (0.78) ALDH1A1LMNAPRKCAPRKCEPRKCQ
SCHEMBL17866530 0.93 ALDH1A1 (0.67) ALDH1A1LMNAPRKCAPRKCEPRKCQ
SCHEMBL9462152 0.89 ALDH1A1 (0.76) ALDH1A1LMNAPRKCAPRKCEPRKCQ
Tripalmitin SCHEMBL2017107 0.88 ALDH1A1 (1.00) ALDH1A1LMNAPRKCAPRKCEPRKCQ
SCHEMBL23612380 0.88 ALDH1A1 (1.00) ALDH1A1LMNAPRKCAPRKCEPRKCQ
SCHEMBL24333843 0.88 ALDH1A1 (1.00) ALDH1A1LMNAPRKCAPRKCEPRKCQ
SCHEMBL24334040 0.88 ALDH1A1 (1.00) ALDH1A1LMNAPRKCAPRKCEPRKCQ
SCHEMBL22973398 0.88 ALDH1A1 (1.00) ALDH1A1LMNAPRKCAPRKCEPRKCQ
SCHEMBL896443 0.88 ALDH1A1 (1.00) ALDH1A1LMNAPRKCAPRKCEPRKCQ
Tripalmitin SCHEMBL3239772 0.88 ALDH1A1 (1.00) ALDH1A1LMNAPRKCAPRKCEPRKCQ

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0445278-A4 REDUCED CALORIE TRIGLYCERIDES IN FOODS 1992-03-11 EP disclosed
EP-0445278-A1 REDUCED CALORIE TRIGLYCERIDES IN FOODS NABISCO BRANDS, INC. (US) 1991-09-11 EP disclosed
WO-1991003944-A1 REDUCED CALORIE TRIGLYCERIDES IN FOODS NABISCO BRANDS, INC. (US) 1991-04-04 WO disclosed