SCHEMBL16627956

SCHEMBL16627956

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

nearest known ligand 0.35

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CA5A P35218 1/20 0.35
CA5B Q9Y2D0 1/20 0.35
ALDH1A1 P00352 3/20 0.33
HPGD P15428 1/20 0.30
HIF1A Q16665 1/20 0.30
TP53 P04637 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
SCHEMBL17089318 1.00 CA5A (0.35) CA5ACA5BALDH1A1HPGDHIF1A
SCHEMBL5404644 0.86 ALDH1A1 (0.38) CA5ACA5BALDH1A1HPGDHIF1A
SCHEMBL9683817 0.79 CPA1 (0.34) ALDH1A1HPGDHIF1ATP53
SCHEMBL29278791 0.77 ALDH1A1 (0.37) ALDH1A1
SCHEMBL10111520 0.73 ALDH1A1 (0.37) ALDH1A1
SCHEMBL18643781 0.72
Nitric Acid SCHEMBL21829070 0.70
Acetic Acid SCHEMBL8616242 0.67
Acetamide SCHEMBL11354430 0.67 CA5A (0.47) CA5ACA5BALDH1A1TP53
SCHEMBL10355095 0.67

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-2015050583-A1 METAL CONTAINING CONDENSATION REACTION CATALYSTS, METHODS FOR PREPARING THE CATALYSTS, AND COMPOSITIONS CONTAINING THE CATALYSTS DOW CORNING CORPORATION (US) 2015-04-09 WO disclosed