SCHEMBL28036256

SCHEMBL28036256

CC(=O)N[C@@H]1[C@@H](NC(N)=O)C=C(C(=O)O)O[C@H]1C(O)C(O)CO

nearest known ligand 0.73

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
NEU2 Q9Y3R4 7/20 0.73
NEU3 Q9UQ49 5/20 0.71
NEU4 Q8WWR8 5/20 0.71
NEU1 Q99519 5/20 0.71
LMNA P02545 1/20 0.71

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
SCHEMBL2631658 1.00 NEU2 (0.73) NEU2NEU3NEU4NEU1LMNA
SCHEMBL6018157 0.93 NEU2 (0.78) NEU2NEU3NEU4NEU1LMNA
Zanamivir SCHEMBL496815 0.92 NEU2 (0.72) NEU2NEU3NEU4NEU1LMNA
Zanamivir SCHEMBL11946705 0.92 NEU2 (0.72) NEU2NEU3NEU4NEU1LMNA
Zanamivir SCHEMBL13169991 0.92 NEU2 (0.72) NEU2NEU3NEU4NEU1LMNA
Zanamivir SCHEMBL12367840 0.92 NEU2 (0.72) NEU2NEU3NEU4NEU1LMNA
Zanamivir SCHEMBL13693731 0.92 NEU2 (0.72) NEU2NEU3NEU4NEU1LMNA
Zanamivir SCHEMBL13459831 0.92 NEU2 (0.72) NEU2NEU3NEU4NEU1LMNA
Zanamivir SCHEMBL456058 0.92 NEU2 (0.72) NEU2NEU3NEU4NEU1LMNA
Zanamivir SCHEMBL15448958 0.92 NEU2 (0.72) NEU2NEU3NEU4NEU1LMNA

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
CN-105017193-A Preparation method of zanamivir impurity JIANGSU SIMCERE PHARMACEUTICAL 2015-11-04 CN disclosed