Neu5Ac2En

Neu5Ac2En

SCHEMBL13839147

CC(=O)NC1[C@H]([C@@H](O)[C@@H](O)CO)OC(C(=O)O)=C[C@@H]1O

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

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Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
NEU2 Q9Y3R4 11/20 1.00
NEU1 Q99519 11/20 1.00
NEU3 Q9UQ49 7/20 1.00
NEU4 Q8WWR8 6/20 1.00

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
Neu5Ac2En SCHEMBL22263416 1.00 NEU2 (1.00) NEU2NEU1NEU3NEU4
Neu5Ac2En SCHEMBL10054709 1.00 NEU2 (1.00) NEU2NEU1NEU3NEU4
Neu5Ac2En SCHEMBL19454809 1.00 NEU2 (1.00) NEU2NEU1NEU3NEU4
Neu5Ac2En SCHEMBL14080015 1.00 NEU2 (1.00) NEU2NEU1NEU3NEU4
Neu5Ac2En SCHEMBL2619259 1.00 NEU2 (1.00) NEU2NEU1NEU3NEU4
Neu5Ac2En SCHEMBL2631455 1.00 NEU2 (1.00) NEU2NEU1NEU3NEU4
Neu5Ac2En SCHEMBL24387783 1.00 NEU2 (1.00) NEU2NEU1NEU3NEU4
Neu5Ac2En SCHEMBL21125943 1.00 NEU2 (1.00) NEU2NEU1NEU3NEU4
SCHEMBL21126049 0.89 NEU1 (0.80) NEU2NEU1NEU3NEU4
SCHEMBL22111620 0.89 NEU1 (0.80) NEU2NEU1NEU3NEU4

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-7527934-B2 Labeled substrate conjugates for identifying enzyme inhibitors THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2009-05-05 US disclosed