SCHEMBL7565301

SCHEMBL7565301

c1ccc(COC[C@H]2OC(OCc3ccccc3)C[C@@H](OCc3ccccc3)[C@@H]2OCc2ccccc2)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SSTR1 P30872 2/20 0.52
SSTR2 P30874 2/20 0.52
SSTR4 P31391 2/20 0.52
SSTR3 P32745 2/20 0.52
SSTR5 P35346 2/20 0.52
BCHE P06276 2/20 0.51
ACHE P22303 2/20 0.51
PDE4D Q08499 1/20 0.47
HTR1A P08908 1/20 0.46
GJB2 P29033 2/20 0.45
NT5E P21589 1/20 0.43
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
CA9 Q16790 1/20 0.41
TACR2 P21452 3/20 0.41
PTPN1 P18031 2/20 0.40
PTPN2 P17706 1/20 0.40
PTPN11 Q06124 1/20 0.40
SLC6A2 P23975 1/20 0.39
CDC25B P30305 1/20 0.39

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
SCHEMBL6255576 0.91 GJB2 (0.50) SSTR1SSTR2SSTR4SSTR3SSTR5
SCHEMBL24256145 0.91 GJB2 (0.50) SSTR1SSTR2SSTR4SSTR3SSTR5
SCHEMBL11424901 0.91 GJB2 (0.50) SSTR1SSTR2SSTR4SSTR3SSTR5
SCHEMBL19400295 0.91 GJB2 (0.50) SSTR1SSTR2SSTR4SSTR3SSTR5
SCHEMBL18542267 0.90 SSTR1 (0.47) SSTR1SSTR2SSTR4SSTR3SSTR5
SCHEMBL18542268 0.90 SSTR1 (0.47) SSTR1SSTR2SSTR4SSTR3SSTR5
SCHEMBL14428862 0.88 GJB2 (0.50) SSTR1SSTR2SSTR4SSTR3SSTR5
SCHEMBL14429270 0.88 GJB2 (0.50) SSTR1SSTR2SSTR4SSTR3SSTR5
SCHEMBL14429198 0.88 GJB2 (0.50) SSTR1SSTR2SSTR4SSTR3SSTR5
SCHEMBL14429220 0.88 GJB2 (0.50) 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 5 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
US-5877157-A Modified kojibioside analogues ALBERTA RESEARCH COUNCIL (CA) 1999-03-02 US 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