SCHEMBL7172755

SCHEMBL7172755

N[C@@H]1O[C@H](COCc2ccccc2)[C@H](OC2O[C@H](COCc3ccccc3)[C@H](O)[C@H](OCc3ccccc3)[C@H]2OCc2ccccc2)[C@H](OCc2ccccc2)[C@H]1OCc1ccccc1

nearest known ligand 0.54

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
GJB2 P29033 6/20 0.54
SSTR1 P30872 1/20 0.47
SSTR2 P30874 1/20 0.47
SSTR4 P31391 1/20 0.47
SSTR3 P32745 1/20 0.47
SSTR5 P35346 1/20 0.47
GJA1 P17302 2/20 0.47
PTPN1 P18031 6/20 0.47
PTPN2 P17706 3/20 0.47
PTPN11 Q06124 3/20 0.47
NT5E P21589 1/20 0.46
SLC6A2 P23975 1/20 0.44
CDC25B P30305 4/20 0.44
PTPN6 P29350 2/20 0.44

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
SCHEMBL6762023 0.90 GJB2 (0.49) GJB2SSTR1SSTR2SSTR4SSTR3
SCHEMBL9727044 0.89 GJB2 (0.51) GJB2SSTR1SSTR2SSTR4SSTR3
SCHEMBL9727043 0.89 GJB2 (0.51) GJB2SSTR1SSTR2SSTR4SSTR3
SCHEMBL8992050 0.88 SSTR1 (0.58) GJB2SSTR1SSTR2SSTR4SSTR3
SCHEMBL10607794 0.88 SSTR1 (0.58) GJB2SSTR1SSTR2SSTR4SSTR3
SCHEMBL8992046 0.88 SSTR1 (0.58) GJB2SSTR1SSTR2SSTR4SSTR3
SCHEMBL7753913 0.87 SLC6A2 (0.52) GJB2SSTR1SSTR2SSTR4SSTR3
SCHEMBL13058726 0.86 GJB2 (0.54) GJB2SSTR1SSTR2SSTR4SSTR3
SCHEMBL2825665 0.86 GJB2 (0.57) GJB2SSTR1SSTR2SSTR4SSTR3
SCHEMBL13058755 0.86 GJB2 (0.57) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6573337-B1 Dioxocyclohexane compound linker for solid-phase synthesis of oligosaccharides ALCHEMIA PTY LTD (AU) 2003-06-03 US disclosed