SCHEMBL8055015

SCHEMBL8055015

CC(=O)O[C@@H]1[C@H](O[C@H]2[C@@H](OCc3ccccc3)[C@H](OCc3ccccc3)[C@@H](COCc3ccccc3)O[C@@H]2O)O[C@H](COCc2ccccc2)[C@@H](OCc2ccccc2)[C@@H]1OCc1ccccc1

nearest known ligand 0.53

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
NT5E P21589 1/20 0.51
PTPN1 P18031 11/20 0.49
PTPN2 P17706 5/20 0.49
PTPN11 Q06124 5/20 0.49
CDC25B P30305 8/20 0.48
GJB2 P29033 2/20 0.48
PTPN6 P29350 4/20 0.47
SSTR1 P30872 1/20 0.45
SSTR2 P30874 1/20 0.45
SSTR4 P31391 1/20 0.45
SSTR3 P32745 1/20 0.45
SSTR5 P35346 1/20 0.45
TACR2 P21452 2/20 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
SCHEMBL8055010 1.00 NT5E (0.51) NT5EPTPN1PTPN2PTPN11CDC25B
SCHEMBL9009910 1.00 NT5E (0.51) NT5EPTPN1PTPN2PTPN11CDC25B
SCHEMBL8055031 0.92 NT5E (0.51) NT5EPTPN1PTPN2PTPN11CDC25B
SCHEMBL18744567 0.91 NT5E (0.51) NT5EPTPN1PTPN2PTPN11CDC25B
SCHEMBL2482599 0.91 NT5E (0.51) NT5EPTPN1PTPN2PTPN11CDC25B
SCHEMBL18241576 0.91 NT5E (0.51) NT5EPTPN1PTPN2PTPN11CDC25B
SCHEMBL8225871 0.91 NT5E (0.51) NT5EPTPN1PTPN2PTPN11CDC25B
SCHEMBL4181388 0.91 NT5E (0.51) NT5EPTPN1PTPN2PTPN11CDC25B
SCHEMBL19731824 0.91 NT5E (0.51) NT5EPTPN1PTPN2PTPN11CDC25B
SCHEMBL20295300 0.91 NT5E (0.51) NT5EPTPN1PTPN2PTPN11CDC25B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0739349-B1 POLYMER-SUPPORTED SOLUTION SYNTHESIS OF OLIGOSACCHARIDES INNOVATIONS FOUNDATION (CA) 2000-05-17 EP disclosed
US-5616698-A Polymer-supported solution synthesis of oligosaccharides UNIVERSITY OF TORONTO INNOVATIONS FOUNDATION (CA) 1997-04-01 US disclosed