SCHEMBL5722172

SCHEMBL5722172

CCOC(=O)CN(CC(=O)OCC)C(=O)[C@H](O)[C@@H](O)[C@H](O)[C@H](O)C(N)=O

nearest known ligand 0.38

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CA12 O43570 1/20 0.38
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
CA9 Q16790 1/20 0.38
ALOX15 P16050 1/20 0.35
MGAM O43451 1/20 0.35
GAA P10253 1/20 0.35
SI P14410 1/20 0.35
MGAM2 Q2M2H8 1/20 0.35
ALDH1A1 P00352 2/20 0.33
TRPA1 O75762 1/20 0.33
CYP1A2 P05177 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.31
GSK3A P49840 1/20 0.30
GSK3B P49841 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
SCHEMBL16875767 1.00 CA12 (0.38) CA12CA1CA2CA9ALOX15
SCHEMBL3071713 0.83 MGAM (0.33) MGAMGAASIMGAM2
SCHEMBL15592559 0.73 CA12 (0.46) CA12CA1CA2CA9ALOX15
SCHEMBL3065742 0.68
SCHEMBL3080214 0.68
SCHEMBL10480792 0.67 DPP4 (0.45) CA12CA1CA2CA9MGAM
SCHEMBL10042520 0.67 GAA (0.50) CA12CA1CA2CA9ALOX15
SCHEMBL4690633 0.67 GAA (0.50) CA12CA1CA2CA9ALOX15
SCHEMBL196815 0.66
SCHEMBL3087112 0.66

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
US-20150191560-A1 THICKENED COMPOSITIONS COMPRISING CROSSLINKED POLYMERS CONTAINING BIOMASS DERIVED MATERIALS E I DU PONT DE NEMOURS AND COMPANY (US) 2015-07-09 US disclosed
EP-1732973-A1 CROSSLINKED POLYMERS CONTAINING BIOMASS DERIVED MATERIALS E.I.Du pont de nemours and company (US) 2006-12-20 EP disclosed
WO-2005082977-A1 CROSSLINKED POLYMERS CONTAINING BIOMASS DERIVED MATERIALS E.I. DUPONT DE NEMOURS AND COMPANY (US) 2005-09-09 WO disclosed
WO-2005082978-A1 PREPARATION OF CROSSLINKED POLYMERS CONTAINING BIOMASS DERIVED MATERIALS E.I. DUPONT DE NEMOURS AND COMPANY (US) 2005-09-09 WO disclosed