SCHEMBL7564025

SCHEMBL7564025

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

nearest known ligand 0.50

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
BCHE P06276 2/20 0.50
ACHE P22303 2/20 0.50
PDE4D Q08499 1/20 0.49
SSTR1 P30872 1/20 0.43
SSTR2 P30874 1/20 0.43
SSTR4 P31391 1/20 0.43
SSTR3 P32745 1/20 0.43
SSTR5 P35346 1/20 0.43
LMNA P02545 1/20 0.42
GJB2 P29033 2/20 0.41
HTR1A P08908 1/20 0.40
DRD1 P21728 1/20 0.40
HRH4 Q9H3N8 4/20 0.39
HRH3 Q9Y5N1 4/20 0.39
SLC6A2 P23975 2/20 0.38

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
SCHEMBL7564019 1.00 BCHE (0.50) BCHEACHEPDE4DSSTR1SSTR2
SCHEMBL23047646 0.91 PDE4D (0.52) BCHEACHEPDE4DSSTR1SSTR2
SCHEMBL29711913 0.91 PDE4D (0.52) BCHEACHEPDE4DSSTR1SSTR2
SCHEMBL9545173 0.86 PDE4D (0.48) BCHEACHEPDE4DSSTR1SSTR2
SCHEMBL16018722 0.85 PDE4D (0.42) BCHEACHEPDE4DSSTR1SSTR2
SCHEMBL7570125 0.84 BCHE (0.50) BCHEACHEPDE4DSSTR1SSTR2
SCHEMBL18483751 0.84 BCHE (0.50) BCHEACHEPDE4DSSTR1SSTR2
SCHEMBL7570131 0.84 BCHE (0.50) BCHEACHEPDE4DSSTR1SSTR2
SCHEMBL459736 0.80 LMNA (0.48) BCHEACHEPDE4DLMNAGJB2
SCHEMBL19185914 0.80 BCHE (0.46) BCHEACHEPDE4DSSTR1SSTR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0830365-B1 MODIFIED KOJIBIOSIDES ANALOGUES ALBERTA RES COUNCIL (CA) 2002-09-04 EP disclosed
EP-0837867-B1 MODIFIED ALPHA-D-Glcp-(1-2)-ALPHA-D-Glcp-(1-3)-ALPHA-D-Glcp-ANALOGUES ALBERTA RES COUNCIL (CA) 2001-08-16 EP disclosed
US-5929037-A GLUCOSIDASE I INHIBITORS ALBERTA RESEARCH COUNCIL (CA) 1999-07-27 US disclosed
US-5877157-A Modified kojibioside analogues ALBERTA RESEARCH COUNCIL (CA) 1999-03-02 US disclosed
EP-0837867-A1 MODIFIED $g(a)-D-Glcp-(1-2)-$g(a)-D-Glcp-(1-3)-$g(a)-D-Glcp-ANALOGUES ALBERTA RESEARCH COUNCIL (CA) 1998-04-29 EP disclosed
EP-0830365-A1 MODIFIED KOJIBIOSIDES ANALOGUES ALBERTA RESEARCH COUNCIL (CA) 1998-03-25 EP disclosed
US-5633233-A Modified kojibiosides analogues ALBERTA RESEARCH COUNCIL (CA) 1997-05-27 US disclosed
WO-1996040702-A1 MODIFIED KOJIBIOSIDES ANALOGUES ALBERTA RESEARCH COUNCIL (CA) 1996-12-19 WO disclosed
WO-1996040700-A1 MODIFIED α-D-Glcp-(1-2)-α-D-Glcp-(1-3)-α-D-Glcp-ANALOGUES ALBERTA RESEARCH COUNCIL (CA) 1996-12-19 WO disclosed