SCHEMBL20188583

SCHEMBL20188583

COc1ccc(CC2(O)O[C@H](CO)[C@@H](N=[N+]=[N-])[C@H](O)[C@@H]2N=[N+]=[N-])cc1

nearest known ligand 0.39

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ SLC5A2 P31639 14/20 0.39
▸ SLC5A1 P13866 8/20 0.39
▸ GAA P10253 1/20 0.32

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
SCHEMBL20190749 0.75 SLC5A2 (0.55) SLC5A2SLC5A1
SCHEMBL20190750 0.75 SLC5A2 (0.55) SLC5A2SLC5A1
SCHEMBL29616303 0.72 SLC5A2 (0.49) SLC5A2SLC5A1
SCHEMBL20188579 0.72 NPC1 (0.42) SLC5A2SLC5A1
SCHEMBL20191053 0.72 NPC1 (0.42) SLC5A2SLC5A1
SCHEMBL31498348 0.71 SLC5A2 (0.48) SLC5A2SLC5A1
SCHEMBL16673129 0.71 TYR (0.44) SLC5A2SLC5A1
SCHEMBL16673131 0.71 TYR (0.44) SLC5A2SLC5A1
SCHEMBL16693134 0.71 TYR (0.44) SLC5A2SLC5A1
SCHEMBL18022564 0.71 TYR (0.44) SLC5A2SLC5A1

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-2018098342-A1 N-ACETYLATED SIALIC ACIDS AND RELATED SIALOSIDES THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2018-05-31 — — WO disclosed
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