Diolein

Diolein

SCHEMBL16100175

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

nearest known ligand 0.71

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Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PRKCA P17252 3/20 0.71
PRKCE Q02156 2/20 0.71
PRKCQ Q04759 2/20 0.71
PRKCD Q05655 2/20 0.71
S1PR1 P21453 1/20 0.68
FABP3 P05413 1/20 0.67
SMN1; SMN2 Q16637 2/20 0.63
NR5A2 O00482 1/20 0.63
NR5A1 Q13285 1/20 0.63
ENPP2 Q13822 2/20 0.62
SELP P16109 1/20 0.59
LPAR1 Q92633 4/20 0.59
LPAR3 Q9UBY5 3/20 0.59

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
Phosphocholine SCHEMBL16102973 0.94 FABP3 (0.74) PRKCAPRKCEPRKCQPRKCDFABP3
Phosphocholine SCHEMBL26629479 0.94 FABP3 (0.74) PRKCAPRKCEPRKCQPRKCDFABP3
Phosphocholine SCHEMBL480378 0.94 FABP3 (0.74) PRKCAPRKCEPRKCQPRKCDFABP3
1,2-Dipalmitin SCHEMBL1833548 0.94 FABP3 (0.74) PRKCAPRKCEPRKCQPRKCDFABP3
Phosphocholine SCHEMBL28007296 0.93 S1PR1 (0.68) PRKCAPRKCEPRKCQPRKCDS1PR1
1,2-Dipalmitin SCHEMBL25387086 0.93 FABP3 (0.73) PRKCAPRKCEPRKCQPRKCDS1PR1
Phosphocholine SCHEMBL18114373 0.92 PRKCA (0.68) PRKCAPRKCEPRKCQPRKCDS1PR1
Diolein SCHEMBL3652589 0.92 PRKCA (0.68) PRKCAPRKCEPRKCQPRKCDS1PR1
Phosphocholine SCHEMBL9809625 0.92 FABP3 (0.59) PRKCAPRKCEPRKCQPRKCDS1PR1
Phosphocholine SCHEMBL18114339 0.92 PRKCA (0.68) PRKCAPRKCEPRKCQPRKCDS1PR1

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-4221680-A1 PREPARATION AND STORAGE OF LIPOSOMAL RNA FORMULATIONS SUITABLE FOR THERAPY BioNTech SE (DE) 2023-08-09 EP disclosed
EP-2968149-A1 PROCESS FOR FORMULATING AN ANIONIC AGENT Dicerna Pharmaceuticals, Inc. (US) 2016-01-20 EP disclosed
WO-2014153163-A1 PROCESS FOR FORMULATING AN ANIONIC AGENT DICERNA PHARMACEUTICALS, INC. (US) 2014-09-25 WO disclosed