SCHEMBL7570823

SCHEMBL7570823

OC1O[C@H](COCc2ccccc2)[C@H](OCc2ccccc2)C[C@H]1OCc1ccccc1

nearest known ligand 0.57

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PDE4D Q08499 3/20 0.57
BCHE P06276 1/20 0.46
ACHE P22303 1/20 0.46
SLC6A2 P23975 1/20 0.45
GJB2 P29033 2/20 0.43
SSTR1 P30872 3/20 0.41
SSTR2 P30874 3/20 0.41
SSTR4 P31391 3/20 0.41
SSTR3 P32745 3/20 0.41
SSTR5 P35346 3/20 0.41
ADRB2 P07550 1/20 0.41
TACR1 P25103 1/20 0.41
HTR1A P08908 1/20 0.39
NT5E P21589 1/20 0.39
PTPN2 P17706 1/20 0.38
PTPN1 P18031 1/20 0.38
PTPN11 Q06124 1/20 0.38
GYPA P02724 1/20 0.38
TAAR1 Q96RJ0 1/20 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
SCHEMBL7570831 1.00 PDE4D (0.57) PDE4DBCHEACHESLC6A2GJB2
SCHEMBL7570826 1.00 PDE4D (0.57) PDE4DBCHEACHESLC6A2GJB2
SCHEMBL24058165 0.87 PDE4D (0.58) PDE4DBCHEACHESLC6A2GJB2
SCHEMBL31556052 0.87 PDE4D (0.58) PDE4DBCHEACHESLC6A2GJB2
SCHEMBL24350850 0.87 NT5E (0.48) PDE4DBCHEACHESLC6A2GJB2
SCHEMBL29711913 0.84 PDE4D (0.52) PDE4DBCHEACHESLC6A2GJB2
SCHEMBL23047646 0.84 PDE4D (0.52) PDE4DBCHEACHESLC6A2GJB2
SCHEMBL7564024 0.83 PDE4D (0.51) PDE4DBCHEACHESLC6A2GJB2
SCHEMBL7564028 0.83 PDE4D (0.51) PDE4DBCHEACHESLC6A2GJB2
SCHEMBL7564020 0.83 PDE4D (0.51) PDE4DBCHEACHESLC6A2GJB2

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