SCHEMBL9795200

SCHEMBL9795200

NC(OC(=O)/C=C/C(=O)OC(N)C(=O)NC1CCCCC1O[N+](=O)[O-])C(=O)NC1CCCCC1O[N+](=O)[O-]

nearest known ligand 0.40

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
GSR P00390 4/20 0.40
BCHE P06276 1/20 0.35
MITF O75030 1/20 0.31

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 0.80 GSR (0.38) GSRBCHE
SCHEMBL9795366 0.78 GSR (0.36) GSRBCHE
SCHEMBL9795082 0.77 BCHE (0.32) BCHE
SCHEMBL9795186 0.75 GSR (0.51) GSRBCHE
SCHEMBL9019570 0.72 GSR (0.51) GSRBCHE
Fumaric Acid SCHEMBL9795206 0.71 GSR (0.41) GSRBCHE
SCHEMBL9795129 0.69 GSR (0.45) GSRBCHE
SCHEMBL9795429 0.69 GSR (0.45) GSRBCHE
SCHEMBL9501683 0.69 GSR (0.45) GSRBCHE
SCHEMBL9500143 0.69 GSR (0.45) 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