SCHEMBL7473255

SCHEMBL7473255

CC(=O)N[C@@H]1[C@@H](ONC(N)=O)O[C@H](CO)[C@](O)([C@@H]2O[C@H](CO)[C@H](O)[C@@](O)([C@@H]3O[C@H](CO)[C@H](O)[C@H](O)[C@H]3O)[C@H]2O)[C@@H]1O

nearest known ligand 0.37

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.37
THRB P10828 1/20 0.37
MAPK1 P28482 2/20 0.36
SMN1; SMN2 Q16637 1/20 0.35
LGALS8 O00214 1/20 0.34
LGALS3 P17931 1/20 0.34
LGALS4 P56470 1/20 0.34
CD69 Q07108 1/20 0.33
POLB P06746 1/20 0.33

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
SCHEMBL11102486 0.82 MAPK1 (0.46) ALDH1A1THRBMAPK1SMN1; SMN2LGALS8
SCHEMBL5525285 0.79 MAPK1 (0.43) ALDH1A1THRBMAPK1SMN1; SMN2LGALS8
SCHEMBL29885761 0.79 MAPK1 (0.46) ALDH1A1THRBMAPK1SMN1; SMN2LGALS8
SCHEMBL9751613 0.75 MAPK1 (0.43) ALDH1A1THRBMAPK1SMN1; SMN2LGALS8
SCHEMBL7112857 0.74 LGALS3 (0.40) ALDH1A1THRBMAPK1SMN1; SMN2LGALS3
SCHEMBL5394522 0.72 CA1 (0.39) ALDH1A1THRBMAPK1LGALS3
SCHEMBL11101157 0.71 MAPK1 (0.40) ALDH1A1THRBMAPK1SMN1; SMN2LGALS8
SCHEMBL11100963 0.71 MAPK1 (0.52) ALDH1A1THRBMAPK1SMN1; SMN2LGALS8
SCHEMBL11198537 0.71 ALDH1A1 (0.42) ALDH1A1THRBMAPK1SMN1; SMN2LGALS8
SCHEMBL9697583 0.71 ALDH1A1 (0.50) ALDH1A1THRBMAPK1SMN1; SMN2CD69

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-1257558-A1 METHODS FOR SYNTHESIS OF ALPHA-D-GAL (1- 3) GAL-CONTAINING OLIGOSACCHARIDES Alchemia Pty Ltd (AU) 2002-11-20 EP disclosed
WO-2001051499-A1 METHODS FOR SYNTHESIS OF α-D-GAL (1→3) GAL-CONTAINING OLIGOSACCHARIDES ALCHEMIA PTY LTD (AU) 2001-07-19 WO disclosed