SCHEMBL7770650

SCHEMBL7770650

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

nearest known ligand 0.54

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ GJB2 P29033 2/20 0.52
▸ SSTR1 P30872 1/20 0.51
▸ SSTR2 P30874 1/20 0.51
▸ SSTR4 P31391 1/20 0.51
▸ SSTR3 P32745 1/20 0.51
▸ SSTR5 P35346 1/20 0.51
▸ HTR1A P08908 1/20 0.47
▸ TACR2 P21452 3/20 0.47
▸ NT5E P21589 1/20 0.47
▸ TNF P01375 1/20 0.45
▸ PTPN1 P18031 7/20 0.44
▸ CDC25B P30305 5/20 0.44
▸ PTPN2 P17706 2/20 0.43
▸ PTPN6 P29350 1/20 0.42
▸ PTPN11 Q06124 1/20 0.42

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
SCHEMBL9149969 1.00 GJB2 (0.52) GJB2SSTR1SSTR2SSTR4SSTR3
SCHEMBL9149963 1.00 GJB2 (0.52) GJB2SSTR1SSTR2SSTR4SSTR3
SCHEMBL7770653 1.00 GJB2 (0.52) GJB2SSTR1SSTR2SSTR4SSTR3
SCHEMBL7563593 0.96 SSTR1 (0.52) GJB2SSTR1SSTR2SSTR4SSTR3
SCHEMBL264661 0.96 SSTR1 (0.52) GJB2SSTR1SSTR2SSTR4SSTR3
SCHEMBL7564133 0.95 SSTR1 (0.54) GJB2SSTR1SSTR2SSTR4SSTR3
SCHEMBL7564138 0.95 SSTR1 (0.54) GJB2SSTR1SSTR2SSTR4SSTR3
SCHEMBL14571365 0.93 HTR1A (0.52) GJB2SSTR1SSTR2SSTR4SSTR3
SCHEMBL2562480 0.93 HTR1A (0.52) GJB2SSTR1SSTR2SSTR4SSTR3
SCHEMBL1561732 0.93 HTR1A (0.52) GJB2SSTR1SSTR2SSTR4SSTR3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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
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
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