SCHEMBL6886071

SCHEMBL6886071

O=C(C[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1S)NCCNCCNC(=O)C[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1S

nearest known ligand 0.41

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PYGB P11216 7/20 0.41
GAA P10253 1/20 0.38
SELP P16109 1/20 0.33
CA12 O43570 2/20 0.33
CA1 P00915 2/20 0.33
CA2 P00918 2/20 0.33
CA9 Q16790 2/20 0.33

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
Hydrogen Sulfide SCHEMBL6886073 0.86 PYGB (0.47) PYGBGAASELPCA12CA1
SCHEMBL6509715 0.79 PYGB (0.33) PYGBGAASELP
SCHEMBL4461207 0.76 PYGB (0.32) PYGBGAASELP
SCHEMBL20161703 0.75 PYGB (0.51) PYGBGAASELPCA12CA1
SCHEMBL21302827 0.72 NAAA (0.49) PYGBGAA
SCHEMBL21302824 0.72 NAAA (0.49) PYGBGAA
SCHEMBL20161560 0.71 NAAA (0.47) PYGBGAA
SCHEMBL20161323 0.71 NAAA (0.47) PYGBGAA
SCHEMBL21342077 0.70 SELP (0.54) PYGBGAASELPCA12CA1
SCHEMBL21342074 0.69 PYGB (0.43) PYGBGAASELPCA12CA1

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-1372734-A1 LECTIN-DIRECTED PRODRUG DELIVERY SYSTEM ISIS INNOVATION LIMITED (GB) 2004-01-02 EP disclosed
WO-2002080980-A1 LECTIN-DIRECTED PRODRUG DELIVERY SYSTEM ISIS INNOVATION LIMITED (GB) 2002-10-17 WO disclosed