SCHEMBL5314955

SCHEMBL5314955

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 0.56

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
GJB2 P29033 3/20 0.55
NT5E P21589 1/20 0.48
SLC6A2 P23975 2/20 0.47
SSTR1 P30872 1/20 0.47
SSTR2 P30874 1/20 0.47
SSTR4 P31391 1/20 0.47
SSTR3 P32745 1/20 0.47
SSTR5 P35346 1/20 0.47
PTPN1 P18031 8/20 0.47
PTPN2 P17706 3/20 0.47
PTPN11 Q06124 3/20 0.47
GJA1 P17302 1/20 0.47
CDC25B P30305 6/20 0.46
PTPN6 P29350 2/20 0.46

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
SCHEMBL3241911 0.98 GJB2 (0.53) GJB2NT5ESLC6A2SSTR1SSTR2
SCHEMBL3241906 0.98 GJB2 (0.53) GJB2NT5ESLC6A2SSTR1SSTR2
SCHEMBL4928707 0.91 GJB2 (0.57) GJB2NT5ESLC6A2SSTR1SSTR2
SCHEMBL4909410 0.91 GJB2 (0.57) GJB2NT5ESLC6A2SSTR1SSTR2
SCHEMBL8052996 0.91 SSTR1 (0.50) GJB2NT5ESSTR1SSTR2SSTR4
SCHEMBL8052999 0.91 SSTR1 (0.50) GJB2NT5ESSTR1SSTR2SSTR4
SCHEMBL1776650 0.89 PTPN1 (0.52) GJB2NT5ESSTR1SSTR2SSTR4
SCHEMBL1776647 0.89 PTPN1 (0.52) GJB2NT5ESSTR1SSTR2SSTR4
SCHEMBL9727044 0.88 GJB2 (0.51) GJB2NT5ESLC6A2SSTR1SSTR2
SCHEMBL9727043 0.88 GJB2 (0.51) GJB2NT5ESLC6A2SSTR1SSTR2

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-1863536-A1 SYNTHETIC ANTI-CANDIDA ALBICANS OLIGOSACCHARIDE BASED VACCINES The Governors of the University of Alberta (CA) 2007-12-12 EP disclosed
WO-2006096970-A1 SYNTHETIC ANTI-CANDIDA ALBICANS OLIGOSACCHARIDE BASED VACCINES GOVERNORS OF THE UNIVERSITY OF ALBERTA (CA) 2006-09-21 WO disclosed