SCHEMBL23135680

SCHEMBL23135680

O=C(O)C1=CC(O)[C@@H](O)C([C@H](O)CO)O1

nearest known ligand 0.51

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ NEU1 Q99519 14/20 0.51
▸ NEU2 Q9Y3R4 12/20 0.51
▸ NEU4 Q8WWR8 7/20 0.51
▸ NEU3 Q9UQ49 7/20 0.51
▸ MANBA O00462 1/20 0.47
▸ LMNA P02545 1/20 0.47
▸ THRB P10828 1/20 0.47
▸ HIF1A Q16665 1/20 0.47

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
SCHEMBL15966479 0.80 NEU1 (0.45) NEU1NEU2NEU4NEU3
SCHEMBL21695642 0.78 NEU1 (0.46) NEU1NEU2NEU4NEU3
SCHEMBL24437430 0.73 NEU1 (0.42) NEU1NEU2NEU4NEU3
SCHEMBL11962046 0.73 NEU1 (0.67) NEU1NEU2NEU4NEU3
SCHEMBL10024193 0.73 NEU1 (0.67) NEU1NEU2NEU4NEU3
SCHEMBL13191002 0.73 NEU2 (0.63) NEU1NEU2NEU4NEU3
SCHEMBL15119388 0.73 NEU1 (0.67) NEU1NEU2NEU4NEU3
SCHEMBL22111639 0.73 NEU2 (0.63) NEU1NEU2NEU4NEU3
SCHEMBL15368637 0.73 NEU2 (0.63) NEU1NEU2NEU4NEU3
SCHEMBL20620266 0.73 NEU2 (0.42) NEU1NEU2NEU4NEU3LMNA

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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