SCHEMBL5961314

SCHEMBL5961314

O=C(CCl)N[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PYGB P11216 7/20 1.00
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
SCHEMBL13745906 0.87 PYGB (0.77) PYGBGAAAKR1B1CA12CA1
SCHEMBL28200722 0.86 PYGB (0.75) PYGBGAAAKR1B1CA12CA1
SCHEMBL4182342 0.83 PYGB (1.00) PYGBGAAAKR1B1CA12CA1
SCHEMBL12658049 0.83 PYGB (0.71) PYGBGAAAKR1B1CA12CA1
SCHEMBL4173060 0.83 PYGB (1.00) PYGBGAAAKR1B1CA12CA1
SCHEMBL13541661 0.83 PYGB (0.71) PYGBGAAAKR1B1CA12CA1
SCHEMBL6683934 0.83 PYGB (0.71) PYGBGAAAKR1B1CA12CA1
SCHEMBL7814139 0.83 PYGB (1.00) PYGBGAAAKR1B1CA12CA1
SCHEMBL14106417 0.83 PYGB (0.71) PYGBGAAAKR1B1CA12CA1
SCHEMBL13541662 0.83 PYGB (0.71) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2006043036-A2 TREATMENT OF DIABETES THE UNIVERSITY OF NEWCASTLE (GB) 2006-04-27 WO disclosed