SCHEMBL7455773

SCHEMBL7455773

CO[C@@H]1O[C@H](C(=O)OCc2ccccc2)[C@@H](O)[C@H](OCc2ccccc2)[C@H]1OCc1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LGALS8 O00214 1/20 0.47
BCHE P06276 2/20 0.43
SSTR1 P30872 1/20 0.43
SSTR2 P30874 1/20 0.43
SSTR4 P31391 1/20 0.43
SSTR3 P32745 1/20 0.43
SSTR5 P35346 1/20 0.43
AHCY P23526 1/20 0.41
PTPN2 P17706 2/20 0.41
PTPN1 P18031 2/20 0.41
ALDH1A1 P00352 3/20 0.40
SLC6A2 P23975 1/20 0.39
FABP7 O15540 1/20 0.39
FABP5 Q01469 1/20 0.39
PDPK1 O15530 1/20 0.38
MTOR P42345 1/20 0.38
CYP3A4 P08684 1/20 0.38
TSHR P16473 1/20 0.38
MAPK1 P28482 1/20 0.38
TDP1 Q9NUW8 1/20 0.38

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
SCHEMBL9056298 0.91 AHCY (0.43) LGALS8AHCYPTPN2PTPN1ALDH1A1
SCHEMBL23343940 0.90 LGALS8 (0.53) LGALS8BCHESSTR1SSTR2SSTR4
SCHEMBL7460671 0.89 BCHE (0.46) LGALS8BCHESSTR1SSTR2SSTR4
SCHEMBL21843051 0.88 LGALS8 (0.50) LGALS8BCHESSTR1SSTR2SSTR4
SCHEMBL22073987 0.84 SSTR1 (0.49) LGALS8BCHESSTR1SSTR2SSTR4
SCHEMBL30128330 0.81 BCHE (0.48) LGALS8BCHESSTR1SSTR2SSTR4
SCHEMBL3827358 0.81 LGALS8 (0.50) LGALS8BCHESSTR1SSTR2SSTR4
SCHEMBL3825138 0.81 LGALS8 (0.50) LGALS8BCHESSTR1SSTR2SSTR4
SCHEMBL18825279 0.81 BCHE (0.50) LGALS8BCHESSTR1SSTR2SSTR4
SCHEMBL18825292 0.81 BCHE (0.50) LGALS8BCHESSTR1SSTR2SSTR4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0979826-B1 Process for selective oxidation of primary alcohols of oligosaccharides AKZO NOBEL NV (NL) 2002-11-06 EP disclosed
US-6310200-B1 COMPRISING CARBOXYLATION OF AN OLIGOSACCHARIDE USING A DI-TERT-ALKYL NITROXYL FREE RADICAL AS CATALYST AND 1,3-DIBROMO OR -CHLORO-5,5-DI-METHYLHYDANTOIN AS OXIDIZERS AT A PH OF 7-1O; EFFICIENCY AKZO NOBEL N.V. (NL) 2001-10-30 US disclosed
EP-0979826-A1 Process for selective oxidation of primary alcohols of oligosaccharides Akzo Nobel N.V. (NL) 2000-02-16 EP disclosed