SCHEMBL7472476

SCHEMBL7472476

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

nearest known ligand 0.48

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 3/20 0.48
▸ KMT2A Q03164 1/20 0.47
▸ POLB P06746 2/20 0.46
▸ ALDH1A1 P00352 2/20 0.42
▸ CYP2D6 P10635 1/20 0.42
▸ MAPK1 P28482 1/20 0.42
▸ LGALS8 O00214 1/20 0.41
▸ CA12 O43570 10/20 0.40
▸ CA1 P00915 10/20 0.40
▸ CA2 P00918 10/20 0.40
▸ CA9 Q16790 10/20 0.40
▸ PAX8 Q06710 1/20 0.40
▸ PRKCA P17252 1/20 0.40
▸ AKT1 P31749 1/20 0.40
▸ PTK2 Q05397 1/20 0.40
▸ CA14 Q9ULX7 4/20 0.39
▸ TSHR P16473 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
SCHEMBL7464539 0.95 LMNA (0.47) LMNAKMT2APOLBALDH1A1CYP2D6
SCHEMBL7473571 0.94 LMNA (0.42) LMNAKMT2APOLBALDH1A1CYP2D6
SCHEMBL7563759 0.92 LGALS8 (0.51) LMNAKMT2APOLBALDH1A1CYP2D6
SCHEMBL7461895 0.89 FGF2 (0.42) LMNAKMT2APOLBLGALS8
SCHEMBL12729489 0.83 LMNA (0.43) LMNAKMT2APOLBALDH1A1CYP2D6
SCHEMBL11921861 0.79 LMNA (0.42) LMNAKMT2APOLBALDH1A1CYP2D6
SCHEMBL12729420 0.79 LMNA (0.45) LMNAKMT2APOLBALDH1A1CYP2D6
SCHEMBL10526777 0.78 POLB (0.52) LMNAKMT2APOLBLGALS8
SCHEMBL11322341 0.78 LMNA (0.58) LMNAKMT2APOLBALDH1A1CYP2D6
SCHEMBL2007087 0.78 LMNA (0.76) LMNAKMT2APOLBALDH1A1CYP2D6

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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