Hydrogen Sulfide

Hydrogen Sulfide

SCHEMBL4468953

NCCN(CCNC(=O)C[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O)CCNC(=O)C[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O.S.S

nearest known ligand 0.40

Full drug profile on Sugi Atlas →

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PYGB P11216 7/20 0.40
SELP P16109 2/20 0.37
GAA P10253 1/20 0.37
CA12 O43570 5/20 0.35
CA1 P00915 5/20 0.35
CA2 P00918 5/20 0.35
CA9 Q16790 5/20 0.35
LGALS3 P17931 2/20 0.34
CA4 P22748 2/20 0.34
CA5A P35218 2/20 0.34
CA7 P43166 2/20 0.34
CA3 P07451 1/20 0.34
CA13 Q8N1Q1 1/20 0.34
CA14 Q9ULX7 1/20 0.34

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 SCHEMBL6509718 0.83 PYGB (0.36) PYGBSELPGAA
SCHEMBL14365679 0.80 LGALS3 (0.41) PYGBGAACA12CA1CA2
Hydrogen Sulfide SCHEMBL6886073 0.80 PYGB (0.47) PYGBSELPGAACA12CA1
SCHEMBL6520738 0.77 FUCA1 (0.31)
SCHEMBL6520744 0.77 FUCA1 (0.31)
SCHEMBL20161703 0.76 PYGB (0.51) PYGBSELPGAACA12CA1
SCHEMBL17962617 0.75 EPHX2 (0.40) PYGBSELPGAACA12CA1
SCHEMBL6509715 0.73 PYGB (0.33) PYGBSELPGAA
SCHEMBL21342074 0.73 PYGB (0.43) PYGBSELPGAACA12CA1
SCHEMBL20161560 0.71 NAAA (0.47) PYGBGAA

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1373285-A4 SYNTHESIS AND USE OF GLYCODENDRIMER REAGENTS GENENCOR INT (US) 2009-09-09 EP disclosed
WO-2006055644-A2 SYNTHESIS AND USE OF GLYCODENDRIMER REAGENTS GENENCOR INTERNATIONAL, INC. (US) 2006-05-26 WO disclosed
EP-1373285-A2 SYNTHESIS AND USE OF GLYCODENDRIMER REAGENTS GENENCOR INTERNATIONAL, INC. (US) 2004-01-02 EP disclosed
WO-2002079394-A2 SYNTHESIS AND USE OF GLYCODENDRIMER REAGENTS GENENCOR INTERNATIONAL, INC. (US) 2002-10-10 WO disclosed