SCHEMBL9795490

SCHEMBL9795490

CC(C)(N)CNC(=O)C(OC(=O)/C=C/C(=O)OC(C(=O)NCC(C)(C)N)C1CCCCC1O[N+](=O)[O-])C1CCCCC1O[N+](=O)[O-]

nearest known ligand 0.36

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
GSR P00390 2/20 0.36

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
SCHEMBL9795269 0.84 GSR (0.39) GSR
Fumaric Acid SCHEMBL9795493 0.70 GSR (0.35) GSR
SCHEMBL9795356 0.68 GSR (0.38) GSR
SCHEMBL9795366 0.67 GSR (0.36) GSR
SCHEMBL9499922 0.66 GSR (0.36) GSR
SCHEMBL9795200 0.66 GSR (0.40) GSR
SCHEMBL9795297 0.65
SCHEMBL9498687 0.63 GSR (0.42) GSR
SCHEMBL9795291 0.63 GSR (0.42) GSR
Fumaric Acid SCHEMBL9795349 0.63 GSR (0.37) GSR

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-5037849-A For treatment of heart and circulatory diseases BOEHRINGER MANNHEIM GMBH (DE) 1991-08-06 US disclosed