SCHEMBL23135372

SCHEMBL23135372

C[C@H](O)[C@H](N)C1OC(C(=O)O)=CC(O)[C@@H]1N

nearest known ligand 0.46

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ NEU1 Q99519 12/20 0.46
▸ NEU4 Q8WWR8 6/20 0.46
▸ NEU2 Q9Y3R4 9/20 0.45
▸ NEU3 Q9UQ49 9/20 0.45

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
SCHEMBL23135371 0.85 NEU1 (0.43) NEU1NEU4NEU2NEU3
SCHEMBL17636054 0.80 NEU1 (0.46) NEU1NEU4NEU2NEU3
SCHEMBL22111639 0.78 NEU2 (0.63) NEU1NEU4NEU2NEU3
SCHEMBL15368637 0.78 NEU2 (0.63) NEU1NEU4NEU2NEU3
SCHEMBL16548128 0.76 NEU3 (0.71) NEU1NEU4NEU2NEU3
SCHEMBL16548135 0.75 NEU1 (0.73) NEU1NEU4NEU2NEU3
SCHEMBL10024192 0.73 NEU1 (0.45) NEU1NEU4NEU2NEU3
SCHEMBL16548231 0.72 NEU1 (0.56) NEU1NEU4NEU2NEU3
SCHEMBL16548129 0.72 NEU1 (0.57) NEU1NEU4NEU2NEU3
SCHEMBL21695642 0.71 NEU1 (0.46) NEU1NEU4NEU2NEU3

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-2021055753-A1 METHODS AND COMPOSITIONS FOR INHIBITION OF CMP-SUGAR SYNTHETASES THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2021-03-25 — — WO disclosed
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