SCHEMBL16135488

SCHEMBL16135488

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

nearest known ligand 0.39

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ MAPK1 P28482 1/20 0.39
▸ ALDH1A1 P00352 4/20 0.36
▸ L3MBTL1 Q9Y468 2/20 0.36
▸ PKM P14618 1/20 0.35
▸ LGALS8 O00214 1/20 0.34
▸ LGALS3 P17931 1/20 0.34
▸ LGALS4 P56470 1/20 0.34
▸ KMT2A Q03164 2/20 0.34
▸ CA2 P00918 4/20 0.33
▸ CA1 P00915 3/20 0.33
▸ MEN1 O00255 1/20 0.33
▸ ASGR1 P07306 5/20 0.33
▸ IGF2R P11717 1/20 0.32
▸ CA9 Q16790 1/20 0.32
▸ THRB P10828 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
SCHEMBL12560770 0.89 MAPK1 (0.40) MAPK1ALDH1A1L3MBTL1PKMLGALS8
SCHEMBL14542000 0.88 MAPK1 (0.51) MAPK1ALDH1A1L3MBTL1PKMLGALS8
SCHEMBL14217637 0.85 MAPK1 (0.37) MAPK1ALDH1A1L3MBTL1PKMLGALS8
SCHEMBL15258382 0.85 MAPK1 (0.37) MAPK1ALDH1A1L3MBTL1PKMLGALS8
SCHEMBL10209192 0.83 ALDH1A1 (0.40) MAPK1ALDH1A1L3MBTL1PKMLGALS3
SCHEMBL7886992 0.83 ALDH1A1 (0.36) MAPK1ALDH1A1L3MBTL1PKMLGALS8
SCHEMBL7567193 0.83 ALDH1A1 (0.36) MAPK1ALDH1A1L3MBTL1PKMLGALS8
SCHEMBL7889397 0.83 ALDH1A1 (0.36) MAPK1ALDH1A1L3MBTL1PKMLGALS8
SCHEMBL5308210 0.80 L3MBTL1 (0.54) ALDH1A1L3MBTL1PKMKMT2A
SCHEMBL1836110 0.80 L3MBTL1 (0.54) ALDH1A1L3MBTL1PKMKMT2A

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
EP-2369345-B1 Glycoconjugates and their use as potential vaccines against infection by shigella flexneri PASTEUR INSTITUT (FR) 2014-10-01 — — EP disclosed
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