SCHEMBL13993294

SCHEMBL13993294

CC(C)(C)C(=O)OCC1(C)COC(=O)C(C)(C)[N+]1=O

nearest known ligand 0.40

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.40
PRKCA P17252 16/20 0.38
PRKCE Q02156 3/20 0.34
RASGRP3 Q8IV61 1/20 0.34
PRKCD Q05655 2/20 0.33

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
SCHEMBL7072491 0.70 SMN1; SMN2 (0.41) SMN1; SMN2PRKCAPRKCEPRKCD
SCHEMBL4954531 0.69 PRKCA (0.40) SMN1; SMN2PRKCAPRKCEPRKCD
SCHEMBL4954525 0.69 PRKCA (0.40) SMN1; SMN2PRKCAPRKCERASGRP3PRKCD
SCHEMBL13249585 0.69 NPSR1 (0.32)
SCHEMBL7071689 0.67 SMN1; SMN2 (0.39) SMN1; SMN2PRKCAPRKCEPRKCD
SCHEMBL13811744 0.66 EPHX1 (0.40) SMN1; SMN2PRKCAPRKCEPRKCD
SCHEMBL4953817 0.66 PRKCA (0.38) SMN1; SMN2PRKCAPRKCEPRKCD
SCHEMBL4953813 0.66 PRKCA (0.38) SMN1; SMN2PRKCAPRKCERASGRP3PRKCD
SCHEMBL12059177 0.64 PRKCA (0.39) SMN1; SMN2PRKCAPRKCERASGRP3PRKCD
SCHEMBL7071185 0.64 PRKCA (0.36) SMN1; SMN2PRKCAPRKCE

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
WO-2008155247-A1 NITROXIDE CONTAINING ELECTRODE MATERIALS FOR SECONDARY BATTERIES BASF SE (CH) 2008-12-24 WO disclosed