SCHEMBL1669245

SCHEMBL1669245

CC(C)C(C(=O)O)C(C)O[N+](=O)[O-]

nearest known ligand 0.36

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
CPA1 P15085 1/20 0.33
GSR P00390 1/20 0.31
SLC7A5 Q01650 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
SCHEMBL22362390 0.77 SLC7A5 (0.46) CPA1GSRSLC7A5
SCHEMBL27650212 0.77 SLC7A5 (0.46) CPA1GSRSLC7A5
SCHEMBL13000794 0.74
SCHEMBL13001164 0.74
SCHEMBL637094 0.74 MMP1 (0.41) CPA1GSRSLC7A5
SCHEMBL637095 0.74 MMP1 (0.41) CPA1GSRSLC7A5
SCHEMBL7573943 0.74 GSR (0.35) GSR
Nitric Acid SCHEMBL27650213 0.73 SLC7A5 (0.43) CPA1GSRSLC7A5
SCHEMBL29803044 0.73
SCHEMBL2013129 0.73

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-2011041872-A1 NITRIC OXIDE AMINO ACID ESTER COMPOUNDS FOR THE PROPHYLAXIS OF ANGINA PECTORIS NITROGENIX INC. (VG) 2011-04-14 WO disclosed