SCHEMBL22677782

SCHEMBL22677782

CO[C@H]1OC(COCc2ccccc2)[C@@H](OCc2ccccc2)C(O[C@H]2OC(COC(=O)c3ccccc3)[C@@H](O[C@H]3OC(COCc4ccccc4)[C@@H](O)C(OCc4ccccc4)C3OC(C)=O)C(OCc3ccccc3)C2OC(C)=O)C1OCc1ccccc1

nearest known ligand 0.49

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ NT5E P21589 1/20 0.49
▸ SSTR1 P30872 1/20 0.46
▸ SSTR2 P30874 1/20 0.46
▸ SSTR4 P31391 1/20 0.46
▸ SSTR3 P32745 1/20 0.46
▸ SSTR5 P35346 1/20 0.46
▸ PTPN1 P18031 10/20 0.46
▸ PTPN2 P17706 6/20 0.46
▸ PTPN11 Q06124 3/20 0.42
▸ GJB2 P29033 2/20 0.41
▸ CDC25B P30305 5/20 0.41
▸ TACR2 P21452 2/20 0.41
▸ PTPN6 P29350 2/20 0.40
▸ LGALS8 O00214 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
SCHEMBL22677685 0.92 SSTR1 (0.51) NT5ESSTR1SSTR2SSTR4SSTR3
SCHEMBL22677766 0.92 SSTR1 (0.51) NT5ESSTR1SSTR2SSTR4SSTR3
SCHEMBL22678393 0.92 SSTR1 (0.51) NT5ESSTR1SSTR2SSTR4SSTR3
SCHEMBL22678413 0.91 SSTR1 (0.51) NT5ESSTR1SSTR2SSTR4SSTR3
SCHEMBL22677442 0.90 SSTR1 (0.49) NT5ESSTR1SSTR2SSTR4SSTR3
SCHEMBL22677692 0.88 SSTR1 (0.57) NT5ESSTR1SSTR2SSTR4SSTR3
SCHEMBL22678415 0.88 SSTR1 (0.57) NT5ESSTR1SSTR2SSTR4SSTR3
SCHEMBL22677699 0.88 SSTR1 (0.57) NT5ESSTR1SSTR2SSTR4SSTR3
SCHEMBL22677769 0.87 SSTR1 (0.54) NT5ESSTR1SSTR2SSTR4SSTR3
SCHEMBL7871322 0.87 NT5E (0.45) NT5ESSTR1SSTR2SSTR4SSTR3

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
WO-2020232194-A1 METHODS FOR GLYCOSYLATION THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2020-11-19 — — WO disclosed
Send feedback