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Sugi Predict / Compounds / SCHEMBL4461207

SCHEMBL4461207

SCHEMBL4461207

CC(C)(C)NC(=O)NC[C](CCNC(=O)C[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1S)CCNC(=O)C[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1S

nearest known ligand 0.32

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ PYGB P11216 3/20 0.32
▸ SELP P16109 3/20 0.32
▸ GAA P10253 1/20 0.31
▸ SLC5A1 P13866 1/20 0.30
▸ SLC5A2 P31639 1/20 0.30

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
SCHEMBL6886071 0.76 PYGB (0.41) PYGBSELPGAA
Hydrogen Sulfide SCHEMBL4461208 0.70 PYGB (0.35) PYGBSELPGAASLC5A1SLC5A2
SCHEMBL6509715 0.68 PYGB (0.33) PYGBSELPGAASLC5A1
SCHEMBL20161703 0.66 PYGB (0.51) PYGBSELPGAA
Hydrogen Sulfide SCHEMBL6886073 0.64 PYGB (0.47) PYGBSELPGAA
SCHEMBL17962617 0.63 EPHX2 (0.40) PYGBSELPGAA
SCHEMBL21302827 0.62 NAAA (0.49) PYGBGAA
SCHEMBL21302824 0.62 NAAA (0.49) PYGBGAA
SCHEMBL20161560 0.62 NAAA (0.47) PYGBGAA
SCHEMBL20161323 0.62 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