SCHEMBL9298640

SCHEMBL9298640

CCCCCCCC(=O)OCC(COC(=O)CCCCCCCC(OC(=O)CCCCCCC)C(O)CO)OC(=O)CCCCCCC

nearest known ligand 0.69

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.69
LMNA P02545 1/20 0.69
PRKCA P17252 4/20 0.68
PRKCE Q02156 2/20 0.68
PRKCQ Q04759 2/20 0.68
PRKCD Q05655 2/20 0.68
LPAR3 Q9UBY5 6/20 0.57
LPAR1 Q92633 3/20 0.57
ENPP2 Q13822 3/20 0.57
SMN1; SMN2 Q16637 1/20 0.57
LPAR2 Q9HBW0 2/20 0.56
MAPT P10636 1/20 0.56
MAPK1 P28482 1/20 0.56
KDM4E B2RXH2 1/20 0.56
DUSP3 P51452 1/20 0.56

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
SCHEMBL6467473 0.93 PRKCA (0.72) ALDH1A1LMNAPRKCAPRKCEPRKCQ
SCHEMBL4453226 0.90 ALDH1A1 (0.73) ALDH1A1LMNAPRKCAPRKCEPRKCQ
E968 SCHEMBL27430723 0.89 LMNA (0.82) ALDH1A1LMNAPRKCAPRKCEPRKCQ
SCHEMBL7612157 0.89 MAPT (0.60) ALDH1A1LMNAPRKCAPRKCEPRKCQ
SCHEMBL28452236 0.89 MAPT (0.60) ALDH1A1LMNAPRKCAPRKCEPRKCQ
Mannitol SCHEMBL27485730 0.87 LMNA (0.77) ALDH1A1LMNAPRKCAPRKCEPRKCQ
Mannitol SCHEMBL27672210 0.87 LMNA (0.77) ALDH1A1LMNAPRKCAPRKCEPRKCQ
SCHEMBL8356370 0.87 ALDH1A1 (0.77) ALDH1A1LMNAPRKCAPRKCEPRKCQ
SCHEMBL17280890 0.86 ALDH1A1 (0.82) ALDH1A1LMNAPRKCAPRKCEPRKCQ
SCHEMBL17280895 0.86 ALDH1A1 (0.82) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0597029-A1 W/O MICROEMULSIONS. SMITHKLINE BEECHAM CORP (US) 1994-05-18 EP disclosed
WO-1993002665-A1 W/O MICROEMULSIONS SMITHKLINE BEECHAM CORPORATION (US) 1993-02-18 WO disclosed