SCHEMBL22677759

SCHEMBL22677759

CC(=O)OC1C(O)[C@H](OCc2ccccc2)C(COCc2ccccc2)O[C@@H]1Oc1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
NT5E P21589 1/20 0.48
GJB2 P29033 2/20 0.48
TACR2 P21452 3/20 0.47
PTPN1 P18031 5/20 0.44
CDC25B P30305 5/20 0.44
SSTR4 P31391 1/20 0.43
PTPN2 P17706 2/20 0.42
PTPN6 P29350 2/20 0.42
PTPN11 Q06124 2/20 0.42
LMNA P02545 1/20 0.42
GJA1 P17302 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
SCHEMBL22677687 0.92 NT5E (0.52) NT5ETACR2PTPN1CDC25BSSTR4
SCHEMBL7079632 0.91 NT5E (0.52) NT5EGJB2TACR2PTPN1CDC25B
SCHEMBL7597560 0.87 GJB2 (0.52) NT5EGJB2TACR2PTPN1CDC25B
SCHEMBL22678402 0.86 TACR2 (0.49) NT5EGJB2TACR2PTPN1CDC25B
SCHEMBL7948003 0.86 NT5E (0.62) NT5EGJB2TACR2PTPN1CDC25B
SCHEMBL8317395 0.86 NT5E (0.62) NT5EGJB2TACR2PTPN1CDC25B
SCHEMBL5198375 0.86 TACR2 (0.51) NT5EGJB2TACR2PTPN1CDC25B
SCHEMBL5198380 0.86 TACR2 (0.51) NT5EGJB2TACR2PTPN1CDC25B
SCHEMBL22073057 0.86 NT5E (0.49) NT5EPTPN1CDC25BSSTR4PTPN2
SCHEMBL22073764 0.84 NT5E (0.48) NT5EGJB2PTPN1CDC25BSSTR4

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