SCHEMBL8992088

SCHEMBL8992088

O[C@H]1[C@H](OCc2ccccc2)[C@@H](OCc2ccccc2)[C@@H](O)O[C@@H]1COCc1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
GJB2 P29033 1/20 0.46
SLC6A2 P23975 2/20 0.46
TACR2 P21452 3/20 0.45
SSTR4 P31391 4/20 0.45
HTR1A P08908 1/20 0.45
NT5E P21589 1/20 0.44
BCHE P06276 2/20 0.44
ACHE P22303 2/20 0.44
PDE4D Q08499 1/20 0.43
SSTR5 P35346 2/20 0.40
SSTR1 P30872 1/20 0.40
SSTR2 P30874 1/20 0.40
SSTR3 P32745 1/20 0.40
PTPN1 P18031 1/20 0.40
CDC25B P30305 1/20 0.40

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
SCHEMBL7151150 1.00 GJB2 (0.46) GJB2SLC6A2TACR2SSTR4HTR1A
SCHEMBL18929913 1.00 GJB2 (0.46) GJB2SLC6A2TACR2SSTR4HTR1A
SCHEMBL22710060 1.00 GJB2 (0.46) GJB2SLC6A2TACR2SSTR4HTR1A
SCHEMBL9011749 1.00 GJB2 (0.46) GJB2SLC6A2TACR2SSTR4HTR1A
SCHEMBL7151153 1.00 GJB2 (0.46) GJB2SLC6A2TACR2SSTR4HTR1A
SCHEMBL17626958 1.00 GJB2 (0.46) GJB2SLC6A2TACR2SSTR4HTR1A
SCHEMBL9114888 0.96 GJB2 (0.47) GJB2SLC6A2TACR2SSTR4HTR1A
SCHEMBL9114883 0.96 GJB2 (0.47) GJB2SLC6A2TACR2SSTR4HTR1A
SCHEMBL7152910 0.91 GJB2 (0.48) GJB2SLC6A2TACR2SSTR4HTR1A
SCHEMBL7751627 0.91 GJB2 (0.48) GJB2SLC6A2TACR2SSTR4HTR1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2627691-B1 DEGRADABLE POLYCARBONATES TEXAS A&M UNIV (US) 2020-11-25 EP disclosed
US-9678072-B2 Synthetic ligands for the differentiation of closely related toxins and pathogens UNIVERSITY OF CINCINNATI (US) 2017-06-13 US disclosed
US-9045516-B2 Synthetic ligands for the differentiation of closely related toxins and pathogens UNIVERSITY OF CINCINNATI 2015-06-02 US disclosed
US-5504078-A α-glucosidase inhibitors MERRELL DOW PHARMACEUTICALS INC. (US) 1996-04-02 US disclosed
US-5157116-A Antidiabetic agents MERRELL DOW PHARMACEUTICALS INC. (US) 1992-10-20 US disclosed
US-5097023-A α-glucosidase inhibitors MERRELL DOW PHARMACEUTICALS INC. (US) 1992-03-17 US disclosed