SCHEMBL14178795

SCHEMBL14178795

CCCCCCCCCCSCC(=O)OCC(COC(=O)CSCCCCCCCCCC)OC(=O)CSCCCCCCCCCC

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.59
LMNA P02545 1/20 0.59
PRKCA P17252 3/20 0.51
PRKCE Q02156 1/20 0.51
PRKCQ Q04759 1/20 0.51
PRKCD Q05655 1/20 0.51
CES2 O00748 1/20 0.50
GMNN O75496 1/20 0.50
TP53 P04637 1/20 0.50
POLB P06746 1/20 0.50
MAPT P10636 1/20 0.50
THRB P10828 1/20 0.50
CYP2C9 P11712 1/20 0.50
BLM P54132 1/20 0.50
HSD17B10 Q99714 1/20 0.50
LPAR3 Q9UBY5 6/20 0.49
LPAR1 Q92633 3/20 0.49
ENPP2 Q13822 3/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
LPAR2 Q9HBW0 2/20 0.48

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
Tritetradecylthioacetyl Glycerol SCHEMBL4815254 1.00 ALDH1A1 (0.59) ALDH1A1LMNAPRKCAPRKCEPRKCQ
SCHEMBL6026492 1.00 ALDH1A1 (0.59) ALDH1A1LMNAPRKCAPRKCEPRKCQ
SCHEMBL4812404 0.94 ALDH1A1 (0.70) ALDH1A1LMNAPRKCAPRKCEPRKCQ
SCHEMBL14178793 0.94 ALDH1A1 (0.54) ALDH1A1LMNAPRKCAPRKCEPRKCQ
SCHEMBL4813459 0.93 ALDH1A1 (0.72) ALDH1A1LMNAPRKCAPRKCEPRKCQ
SCHEMBL4814107 0.93 ALDH1A1 (0.72) ALDH1A1LMNAPRKCAPRKCEPRKCQ
SCHEMBL5936352 0.93 ALDH1A1 (0.72) ALDH1A1LMNAPRKCAPRKCEPRKCQ
SCHEMBL5944372 0.93 ALDH1A1 (0.72) ALDH1A1LMNAPRKCAPRKCEPRKCQ
SCHEMBL5936405 0.93 ALDH1A1 (0.72) ALDH1A1LMNAPRKCAPRKCEPRKCQ
SCHEMBL4816282 0.93 ALDH1A1 (0.72) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7375135-B2 Fatty acid derivatives; preparation and uses thereof GENFIT (FR) 2008-05-20 US disclosed