SCHEMBL28165147

SCHEMBL28165147

CCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCC)OC(=O)CCCCCCCCCCC.O=C1CCCCCO1

nearest known ligand 0.63

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.63
LMNA P02545 1/20 0.63
PRKCA P17252 4/20 0.55
PRKCE Q02156 2/20 0.55
PRKCQ Q04759 2/20 0.55
PRKCD Q05655 2/20 0.55
LPAR3 Q9UBY5 7/20 0.53
LPAR1 Q92633 4/20 0.53
ENPP2 Q13822 3/20 0.53
SMN1; SMN2 Q16637 1/20 0.53
LPAR2 Q9HBW0 2/20 0.52
SMPD1 P17405 1/20 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
SCHEMBL20522611 0.84 PRKCA (0.45) PRKCA
Tripalmitin SCHEMBL27396240 0.81 ALDH1A1 (0.84) ALDH1A1LMNAPRKCAPRKCEPRKCQ
Oxirane SCHEMBL28323099 0.81 ALDH1A1 (0.84) ALDH1A1LMNAPRKCAPRKCEPRKCQ
Isopropyl Myristate SCHEMBL10788262 0.80 LMNA (0.62) ALDH1A1LMNAPRKCA
SCHEMBL24334040 0.79 ALDH1A1 (1.00) ALDH1A1LMNAPRKCAPRKCEPRKCQ
SCHEMBL24334742 0.79 ALDH1A1 (1.00) ALDH1A1LMNAPRKCAPRKCEPRKCQ
SCHEMBL5657518 0.79 ALDH1A1 (1.00) ALDH1A1LMNAPRKCAPRKCEPRKCQ
SCHEMBL23612380 0.79 ALDH1A1 (1.00) ALDH1A1LMNAPRKCAPRKCEPRKCQ
SCHEMBL22973398 0.79 ALDH1A1 (1.00) ALDH1A1LMNAPRKCAPRKCEPRKCQ
SCHEMBL8908785 0.79 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-107260654-A It is a kind of to prepare the method that Thermo-sensitive replaces stratiform insoluble drug release composite 四川大学 2017-10-20 CN disclosed