SCHEMBL7947474

SCHEMBL7947474

COc1ccc(O[C@@H]2O[C@H](COCc3ccccc3)[C@H](OCc3ccccc3)[C@H](O)[C@H]2OCc2ccccc2)cc1

nearest known ligand 0.54

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ GJB2 P29033 6/20 0.54
▸ GJA1 P17302 4/20 0.54
▸ SSTR1 P30872 1/20 0.45
▸ SSTR2 P30874 1/20 0.45
▸ SSTR4 P31391 1/20 0.45
▸ SSTR3 P32745 1/20 0.45
▸ SSTR5 P35346 1/20 0.45
▸ TACR2 P21452 1/20 0.45
▸ NT5E P21589 1/20 0.44
▸ PTPN1 P18031 3/20 0.42
▸ PTPN2 P17706 1/20 0.42
▸ CDC25B P30305 2/20 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
SCHEMBL22073053 0.93 GJB2 (0.49) GJB2GJA1SSTR1SSTR2SSTR4
SCHEMBL22073762 0.89 SSTR5 (0.46) GJB2GJA1SSTR1SSTR2SSTR4
SCHEMBL19731823 0.89 GJB2 (0.47) GJB2GJA1SSTR1SSTR2SSTR4
SCHEMBL7947478 0.89 SSTR1 (0.52) GJB2GJA1SSTR1SSTR2SSTR4
SCHEMBL12136530 0.87 GJB2 (0.49) GJB2GJA1SSTR1SSTR2SSTR4
SCHEMBL27001592 0.87 GJB2 (0.52) GJB2GJA1SSTR1SSTR2SSTR4
SCHEMBL7942767 0.87 GJB2 (0.44) GJB2GJA1SSTR1SSTR2SSTR4
SCHEMBL7936603 0.87 GJB2 (0.44) GJB2GJA1SSTR1SSTR2SSTR4
SCHEMBL7944208 0.87 GJB2 (0.44) GJB2GJA1SSTR1SSTR2SSTR4
SCHEMBL7945562 0.87 GJB2 (0.44) GJB2GJA1SSTR1SSTR2SSTR4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6245902-B1 USEFUL FOR PREPARING C-GLYCOSIDE ANALOGS OF GANGLIOSIDES, PEPTIDES, AND PROTEINS, AS WELL AS SYNTHETIC INTERMEDIATES USEFUL FOR THE PREPARATION OF THE PRECURSORS UNIVERSITY OF IOWA RESEARCH FOUNDATION 2001-06-12 — — US disclosed
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