SCHEMBL23135371

SCHEMBL23135371

C[C@@H]1C(O)C=C(C(=O)O)OC1[C@H](N)[C@@H](C)O

nearest known ligand 0.43

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ NEU1 Q99519 14/20 0.43
▸ NEU4 Q8WWR8 6/20 0.43
▸ NEU3 Q9UQ49 10/20 0.42
▸ NEU2 Q9Y3R4 9/20 0.42

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
SCHEMBL23135372 0.85 NEU1 (0.46) NEU1NEU4NEU3NEU2
SCHEMBL10024192 0.85 NEU1 (0.45) NEU1NEU4NEU3NEU2
SCHEMBL15119388 0.75 NEU1 (0.67) NEU1NEU4NEU3NEU2
SCHEMBL21695642 0.71 NEU1 (0.46) NEU1NEU4NEU3NEU2
SCHEMBL16544464 0.70 NEU1 (0.74) NEU1NEU4NEU3NEU2
SCHEMBL16544462 0.69 NEU3 (0.60) NEU1NEU4NEU3NEU2
SCHEMBL17636054 0.69 NEU1 (0.46) NEU1NEU4NEU3NEU2
SCHEMBL16544470 0.68 NEU1 (0.57) NEU1NEU4NEU3NEU2
SCHEMBL22919828 0.68 NEU2 (0.40) NEU1NEU4NEU3NEU2
SCHEMBL24437430 0.67 NEU1 (0.42) NEU1NEU4NEU3NEU2

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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