SCHEMBL12658049

SCHEMBL12658049

O=C(CI)N[C@@H]1OC(CO)[C@@H](O)C(O)C1O

nearest known ligand 0.71

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PYGB P11216 7/20 0.71
GAA P10253 1/20 0.71
AKR1B1 P15121 1/20 0.51
CA12 O43570 3/20 0.50
CA1 P00915 3/20 0.50
CA2 P00918 3/20 0.50
CA9 Q16790 3/20 0.50

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
SCHEMBL13541661 1.00 PYGB (0.71) PYGBGAAAKR1B1CA12CA1
SCHEMBL13541662 1.00 PYGB (0.71) PYGBGAAAKR1B1CA12CA1
SCHEMBL12658050 1.00 PYGB (0.71) PYGBGAAAKR1B1CA12CA1
SCHEMBL13745906 0.87 PYGB (0.77) PYGBGAAAKR1B1CA12CA1
SCHEMBL12658045 0.86 PYGB (0.55) PYGBGAAAKR1B1
SCHEMBL13541659 0.86 PYGB (0.55) PYGBGAAAKR1B1
SCHEMBL28200722 0.86 PYGB (0.75) PYGBGAAAKR1B1CA12CA1
SCHEMBL13543318 0.85 PYGB (0.53) PYGBGAACA12CA1CA2
SCHEMBL13541660 0.85 PYGB (0.53) PYGBGAACA12CA1CA2
SCHEMBL7814139 0.83 PYGB (1.00) PYGBGAAAKR1B1CA12CA1

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-1961764-B1 SUGAR CHAIN ADDUCT OF PEPTIDE AND PHARMACEUTICAL COMPRISING THE SAME AS ACTIVE INGREDIENT SHIONOGI & CO (JP) 2011-05-11 EP disclosed
EP-1961764-A1 SUGAR CHAIN ADDUCT OF PEPTIDE AND PHARMACEUTICAL COMPRISING THE SAME AS ACTIVE INGREDIENT Shionogi Co., Ltd. (JP) 2008-08-27 EP disclosed