SCHEMBL7563759

SCHEMBL7563759

CO[C@H]1O[C@H](COC(C)=O)[C@@H](O[C@@H]2O[C@@H](CO)[C@@H](O)[C@H](OCc3ccccc3)[C@H]2OC(C)=O)[C@H](OCc2ccccc2)[C@H]1NC(=O)OCc1ccccc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LGALS8 O00214 2/20 0.51
▸ LMNA P02545 2/20 0.49
▸ KMT2A Q03164 1/20 0.47
▸ POLB P06746 1/20 0.46
▸ LGALS3 P17931 4/20 0.43
▸ LGALS9 O00182 3/20 0.43
▸ CYP2D6 P10635 1/20 0.41
▸ ALDH1A1 P00352 1/20 0.41
▸ MAPK1 P28482 1/20 0.41
▸ LGALS7; LGALS7B P47929 2/20 0.41
▸ CA12 O43570 4/20 0.41
▸ CA1 P00915 4/20 0.41
▸ CA2 P00918 4/20 0.41
▸ CA9 Q16790 4/20 0.41
▸ LGALS1 P09382 1/20 0.41
▸ PAX8 Q06710 1/20 0.40
▸ PRKCA P17252 1/20 0.40
▸ AKT1 P31749 1/20 0.40
▸ PTK2 Q05397 1/20 0.40
▸ SLC6A2 P23975 1/20 0.40

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
SCHEMBL7472476 0.92 LMNA (0.48) LGALS8LMNAKMT2APOLBCYP2D6
SCHEMBL7464539 0.91 LMNA (0.47) LGALS8LMNAKMT2APOLBCYP2D6
SCHEMBL7473571 0.86 LMNA (0.42) LGALS8LMNAKMT2APOLBCYP2D6
SCHEMBL28275633 0.85 LGALS8 (0.62) LGALS8LGALS3LGALS9LGALS7; LGALS7BCA1
SCHEMBL10524069 0.85 LGALS8 (0.62) LGALS8LGALS3LGALS9LGALS7; LGALS7BCA1
SCHEMBL15952735 0.83 CYP2D6 (0.50) LGALS8LMNAKMT2APOLBCYP2D6
SCHEMBL15952732 0.83 CYP2D6 (0.50) LGALS8LMNAKMT2APOLBCYP2D6
SCHEMBL20626497 0.81 LMNA (0.44) LGALS8LMNAKMT2APOLBLGALS9
SCHEMBL11325557 0.81 LMNA (0.54) LGALS8LMNAKMT2APOLBLGALS3
SCHEMBL11322337 0.81 LMNA (0.54) LGALS8LMNAKMT2APOLBLGALS3

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
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