SCHEMBL5722170

SCHEMBL5722170

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

nearest known ligand 0.33

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.33
ALOX15 P16050 1/20 0.33
MGAM O43451 1/20 0.33
SI P14410 1/20 0.33
MGAM2 Q2M2H8 1/20 0.33
CYP1A2 P05177 1/20 0.32
TRPA1 O75762 1/20 0.32
ALDH1A1 P00352 1/20 0.32
NPSR1 Q6W5P4 1/20 0.31
KMT2A Q03164 1/20 0.31

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
SCHEMBL3071710 0.84
SCHEMBL11732593 0.72 PTGS2 (0.48) GAAALOX15MGAMSIMGAM2
SCHEMBL3080212 0.70 PGD (0.31)
SCHEMBL3077340 0.70 PGD (0.31)
SCHEMBL21578793 0.67 GAA (0.48) GAAALOX15MGAMSIMGAM2
SCHEMBL10837934 0.67 GAA (0.48) GAAALOX15MGAMSIMGAM2
SCHEMBL3087110 0.67
SCHEMBL5722172 0.66 CA12 (0.38) GAAALOX15MGAMSIMGAM2
SCHEMBL16875767 0.66 CA12 (0.38) GAAALOX15MGAMSIMGAM2
SCHEMBL2168980 0.65 GAA (0.46) GAAALOX15MGAMSIMGAM2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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