SCHEMBL14217637

SCHEMBL14217637

CC(=O)NC1C(O)[C@@H]2OC(C)(C)OCC2O[C@H]1OCCN=[N+]=[N-]

nearest known ligand 0.37

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ MAPK1 P28482 1/20 0.37
▸ BDNF P23560 3/20 0.35
▸ PTN P21246 2/20 0.35
▸ MDK P21741 2/20 0.35
▸ SIGLEC7 Q9Y286 6/20 0.34
▸ ALDH1A1 P00352 3/20 0.34
▸ L3MBTL1 Q9Y468 2/20 0.34
▸ PKM P14618 1/20 0.33
▸ LGALS8 O00214 1/20 0.32
▸ LGALS3 P17931 1/20 0.32
▸ LGALS4 P56470 1/20 0.32
▸ KMT2A Q03164 2/20 0.32
▸ CD209 Q9NNX6 1/20 0.32
▸ MEN1 O00255 1/20 0.31
▸ ASGR1 P07306 1/20 0.31

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
SCHEMBL15258382 1.00 MAPK1 (0.37) MAPK1BDNFPTNMDKSIGLEC7
SCHEMBL16135488 0.85 MAPK1 (0.39) MAPK1ALDH1A1L3MBTL1PKMLGALS8
SCHEMBL12560770 0.85 MAPK1 (0.40) MAPK1ALDH1A1L3MBTL1PKMLGALS8
SCHEMBL14542000 0.84 MAPK1 (0.51) MAPK1ALDH1A1L3MBTL1PKMLGALS8
SCHEMBL16135491 0.83 CD209 (0.33) CD209
SCHEMBL15258385 0.83 CD209 (0.33) CD209
SCHEMBL10209192 0.80 ALDH1A1 (0.40) MAPK1ALDH1A1L3MBTL1PKMLGALS3
SCHEMBL7567193 0.80 ALDH1A1 (0.36) MAPK1ALDH1A1L3MBTL1PKMLGALS8
SCHEMBL7889397 0.80 ALDH1A1 (0.36) MAPK1ALDH1A1L3MBTL1PKMLGALS8
SCHEMBL7886992 0.80 ALDH1A1 (0.36) MAPK1ALDH1A1L3MBTL1PKMLGALS8

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2369345-B1 Glycoconjugates and their use as potential vaccines against infection by shigella flexneri PASTEUR INSTITUT (FR) 2014-10-01 — — EP disclosed
US-20080112951-A1 Glycoconjugates and Their Use as Potential Vaccines Against Infection by Shigella Flexneri CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (FR) 2008-05-15 — — US disclosed
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