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Hydrogen Sulfide

Hydrogen Sulfide

SCHEMBL4461208

S.S.[CH2]C(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)NC(=O)NC(C)(C)C

nearest known ligand 0.35

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Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ PYGB P11216 7/20 0.35
▸ GAA P10253 1/20 0.35
▸ SELP P16109 2/20 0.33
▸ CA12 O43570 3/20 0.33
▸ CA1 P00915 3/20 0.33
▸ CA2 P00918 3/20 0.33
▸ CA9 Q16790 3/20 0.33
▸ CA4 P22748 2/20 0.33
▸ CA5A P35218 2/20 0.33
▸ CA7 P43166 2/20 0.33
▸ CA3 P07451 1/20 0.33
▸ CA13 Q8N1Q1 1/20 0.33
▸ CA14 Q9ULX7 1/20 0.33
▸ L3MBTL1 Q9Y468 1/20 0.32
▸ SLC5A1 P13866 1/20 0.32
▸ SLC5A2 P31639 1/20 0.32
▸ MAPT P10636 1/20 0.32

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 0.74 PYGB (0.47) PYGBGAASELPCA12CA1
SCHEMBL20161703 0.73 PYGB (0.51) PYGBGAASELPCA12CA1
SCHEMBL4461207 0.70 PYGB (0.32) PYGBGAASELPSLC5A1SLC5A2
SCHEMBL20161560 0.69 NAAA (0.47) PYGBGAA
SCHEMBL20161323 0.69 NAAA (0.47) PYGBGAA
SCHEMBL21302824 0.67 NAAA (0.49) PYGBGAA
SCHEMBL21302827 0.67 NAAA (0.49) PYGBGAA
SCHEMBL21342536 0.67 PYGB (0.51) PYGBGAACA12CA1CA2
SCHEMBL20161704 0.67 PYGB (0.51) PYGBGAACA12CA1CA2
SCHEMBL21342077 0.66 SELP (0.54) 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 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