SCHEMBL10314131

SCHEMBL10314131

C=C[C@@H](O)[C@H](CO[C@H]1OC(COCc2ccccc2)[C@H](OCc2ccccc2)[C@H](OCc2ccccc2)C1OCc1ccccc1)NC(=O)OC(C)(C)C

nearest known ligand 0.54

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ PTPN1 P18031 14/20 0.54
▸ CDC25B P30305 14/20 0.54
▸ PTPN2 P17706 7/20 0.54
▸ CDC25A P30304 4/20 0.54
▸ PTPN6 P29350 3/20 0.54
▸ PTPN11 Q06124 3/20 0.54
▸ NT5E P21589 1/20 0.46
▸ KLK7 P49862 1/20 0.44
▸ KLK5 Q9Y337 1/20 0.44
▸ PPARA Q07869 1/20 0.44

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
SCHEMBL12869084 1.00 PTPN1 (0.54) PTPN1CDC25BPTPN2CDC25APTPN6
SCHEMBL10314126 1.00 PTPN1 (0.54) PTPN1CDC25BPTPN2CDC25APTPN6
SCHEMBL10314148 0.92 PTPN1 (0.48) PTPN1CDC25BPTPN2CDC25APTPN6
SCHEMBL10314144 0.92 PTPN1 (0.54) PTPN1CDC25BPTPN2CDC25APTPN6
SCHEMBL10314149 0.87 PTPN1 (0.49) PTPN1CDC25BPTPN2CDC25APTPN6
SCHEMBL10314128 0.86 PTPN1 (0.51) PTPN1CDC25BPTPN2CDC25APTPN6
SCHEMBL10314125 0.86 PTPN1 (0.51) PTPN1CDC25BPTPN2CDC25APTPN6
SCHEMBL10314150 0.85 PTPN1 (0.54) PTPN1CDC25BPTPN2CDC25APTPN6
SCHEMBL1171495 0.83 PTPN1 (0.53) PTPN1CDC25BPTPN2CDC25APTPN6
SCHEMBL10314138 0.82 PTPN1 (0.48) PTPN1CDC25BPTPN2CDC25APTPN6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8211859-B2 α-galactoceramide analogs, their methods of manufacture, intermediate compounds useful in these methods, and pharmaceutical compositions containing them CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (FR) 2012-07-03 — — US disclosed
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