SCHEMBL8002967

SCHEMBL8002967

COc1ccc(COC[C@H]2O[C@@H](Sc3ccccc3)[C@H](OCc3ccc(OC)cc3)[C@@H](O)[C@H]2O)cc1

nearest known ligand 0.48

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
GJB2 P29033 2/20 0.45
GJA1 P17302 1/20 0.45
SSTR4 P31391 5/20 0.45
SLC5A1 P13866 2/20 0.43
SLC5A2 P31639 2/20 0.43
SSTR5 P35346 2/20 0.41
SSTR1 P30872 1/20 0.41
SSTR2 P30874 1/20 0.41
SSTR3 P32745 1/20 0.41
TACR2 P21452 1/20 0.37
SLC6A2 P23975 1/20 0.37
TACR1 P25103 1/20 0.36

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
SCHEMBL8002977 0.92 GJB2 (0.45) GJB2GJA1SSTR4SLC5A1SLC5A2
SCHEMBL5941739 0.87 SSTR4 (0.44) GJB2GJA1SSTR4SSTR5SSTR1
SCHEMBL7452769 0.85 SLC5A2 (0.40) GJB2GJA1SLC5A1SLC5A2SSTR5
SCHEMBL7997389 0.85 SLC5A2 (0.40) GJB2GJA1SLC5A1SLC5A2SSTR5
SCHEMBL7552425 0.85 SLC5A2 (0.40) GJB2GJA1SLC5A1SLC5A2SSTR5
SCHEMBL7555790 0.85 SLC5A2 (0.40) GJB2GJA1SLC5A1SLC5A2SSTR5
SCHEMBL7999781 0.84 GJB2 (0.38) GJB2GJA1SSTR4SLC5A1SLC5A2
SCHEMBL8907486 0.84 GJB2 (0.47) GJB2GJA1SSTR4SLC5A1SLC5A2
SCHEMBL5689122 0.83 GJB2 (0.48) GJB2GJA1SSTR4SSTR5SSTR1
SCHEMBL5688991 0.83 SSTR4 (0.47) GJB2SSTR4SSTR5SSTR1SSTR2

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
US-6040433-A Sulfinyl hexose derivatives useful for glycosylation THE TRUSTEES OF PRINCETON UNIVERSITY (US) 2000-03-21 US disclosed
EP-0901629-A4 CARBOHYDRATE-BASED LIGAND LIBRARY, ASSAY AND METHOD UNIV PRINCETON (US) 2000-02-02 EP disclosed
EP-0901629-A1 CARBOHYDRATE-BASED LIGAND LIBRARY, ASSAY AND METHOD PRINCETON UNIVERSITY (US) 1999-03-17 EP disclosed
WO-1997035202-A1 CARBOHYDRATE-BASED LIGAND LIBRARY, ASSAY AND METHOD PRINCETON UNIVERSITY (US) 1997-09-25 WO disclosed