SCHEMBL9795366

SCHEMBL9795366

NC(OC(=O)/C=C/C(=O)OC(N)C(=O)NCCC1CCCCC1O[N+](=O)[O-])C(=O)NCCC1CCCCC1O[N+](=O)[O-]

nearest known ligand 0.36

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
GSR P00390 3/20 0.36
BCHE P06276 1/20 0.30

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
SCHEMBL9795356 0.89 GSR (0.38) GSRBCHE
SCHEMBL9795200 0.78 GSR (0.40) GSRBCHE
Fumaric Acid SCHEMBL9795374 0.75 GSR (0.38) GSRBCHE
SCHEMBL9795269 0.73 GSR (0.39) GSRBCHE
Fumaric Acid SCHEMBL9795229 0.72 GSR (0.35) GSRBCHE
SCHEMBL9795492 0.72 L3MBTL1 (0.34)
SCHEMBL9795097 0.72 MEN1 (0.36)
SCHEMBL9795279 0.70 NOS1 (0.31)
SCHEMBL9795082 0.68 BCHE (0.32) BCHE
SCHEMBL9795334 0.68 GSR (0.47) GSRBCHE

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