SCHEMBL8052999

SCHEMBL8052999

O[C@@H]1[C@H](OC[C@H]2O[C@H](O)[C@H](OCc3ccccc3)[C@@H](OCc3ccccc3)[C@@H]2OCc2ccccc2)O[C@H](COCc2ccccc2)[C@@H](OCc2ccccc2)[C@@H]1OCc1ccccc1

nearest known ligand 0.56

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SSTR1 P30872 1/20 0.50
SSTR2 P30874 1/20 0.50
SSTR4 P31391 1/20 0.50
SSTR3 P32745 1/20 0.50
SSTR5 P35346 1/20 0.50
NT5E P21589 1/20 0.48
GJB2 P29033 1/20 0.48
PTPN1 P18031 10/20 0.46
CDC25B P30305 8/20 0.46
PTPN2 P17706 6/20 0.46
PTPN11 Q06124 5/20 0.46
PTPN6 P29350 4/20 0.46
HTR1A P08908 1/20 0.44
TACR2 P21452 1/20 0.43

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
SCHEMBL8052996 1.00 SSTR1 (0.50) SSTR1SSTR2SSTR4SSTR3SSTR5
SCHEMBL9727120 0.93 SSTR1 (0.51) SSTR1SSTR2SSTR4SSTR3SSTR5
SCHEMBL9727114 0.93 SSTR1 (0.51) SSTR1SSTR2SSTR4SSTR3SSTR5
SCHEMBL4761028 0.93 SSTR1 (0.55) SSTR1SSTR2SSTR4SSTR3SSTR5
SCHEMBL4761024 0.93 SSTR1 (0.55) SSTR1SSTR2SSTR4SSTR3SSTR5
SCHEMBL5314955 0.91 GJB2 (0.55) SSTR1SSTR2SSTR4SSTR3SSTR5
SCHEMBL977852 0.90 NT5E (0.54) SSTR1SSTR2SSTR4SSTR3SSTR5
SCHEMBL8221413 0.90 NT5E (0.54) SSTR1SSTR2SSTR4SSTR3SSTR5
SCHEMBL10523693 0.90 NT5E (0.54) SSTR1SSTR2SSTR4SSTR3SSTR5
SCHEMBL10523689 0.90 NT5E (0.54) SSTR1SSTR2SSTR4SSTR3SSTR5

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-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
EP-0739349-A1 POLYMER-SUPPORTED SOLUTION SYNTHESIS OF OLIGOSACCHARIDES INNOVATIONS FOUNDATION (CA) 1996-10-30 EP disclosed
WO-1995018814-A2 POLYMER-SUPPORTED SOLUTION SYNTHESIS OF OLIGOSACCHARIDES INNOVATIONS FOUNDATION (CA) 1995-07-13 WO disclosed