SCHEMBL7565013

SCHEMBL7565013

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

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 2/20 0.48
BCHE P06276 5/20 0.47
ACHE P22303 1/20 0.47
PDE4D Q08499 1/20 0.43
PDPK1 O15530 1/20 0.43
MTOR P42345 1/20 0.43
PSEN1 P49768 2/20 0.39
PSEN2 P49810 2/20 0.39
APH1B Q8WW43 2/20 0.39
NCSTN Q92542 2/20 0.39
APH1A Q96BI3 2/20 0.39
PSENEN Q9NZ42 2/20 0.39
KLK7 P49862 3/20 0.39
KLK5 Q9Y337 3/20 0.39
TSHR P16473 1/20 0.38
CTSV O60911 1/20 0.38
CTSL P07711 1/20 0.38
CTSB P07858 1/20 0.38
CTSS P25774 1/20 0.38
CTSK P43235 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
SCHEMBL5804981 1.00 SLC6A2 (0.48) SLC6A2BCHEACHEPDE4DPDPK1
SCHEMBL22031145 1.00 SLC6A2 (0.48) SLC6A2BCHEACHEPDE4DPDPK1
SCHEMBL22030353 1.00 SLC6A2 (0.48) SLC6A2BCHEACHEPDE4DPDPK1
Bromide SCHEMBL7565722 0.98 SLC6A2 (0.47) SLC6A2BCHEACHEPDE4DPDPK1
SCHEMBL23867773 0.89 SLC6A2 (0.50) SLC6A2BCHEACHEPDE4DPDPK1
SCHEMBL22239278 0.89 SLC6A2 (0.50) SLC6A2BCHEACHEPDE4DPDPK1
SCHEMBL19430369 0.89 SLC6A2 (0.50) SLC6A2BCHEACHEPDE4DPDPK1
SCHEMBL25909883 0.87 SLC6A2 (0.46) SLC6A2BCHEACHEPDE4DPDPK1
SCHEMBL19304068 0.84 BCHE (0.45) SLC6A2BCHEACHEPDE4DPDPK1
SCHEMBL8381817 0.83 PDPK1 (0.42) SLC6A2BCHEACHEPDE4DPDPK1

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-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
WO-1996040702-A1 MODIFIED KOJIBIOSIDES ANALOGUES ALBERTA RESEARCH COUNCIL (CA) 1996-12-19 WO disclosed