SCHEMBL22677700

SCHEMBL22677700

CC(=O)OC1C(OC(C)=O)[C@@H](OC(C)=O)C(C)O[C@H]1O[C@H]1C(COCc2ccccc2)O[C@H](C)C(C)C1OCc1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ NT5E P21589 1/20 0.44
▸ GJB2 P29033 2/20 0.42
▸ PTPN1 P18031 7/20 0.42
▸ PTPN2 P17706 3/20 0.42
▸ PTPN11 Q06124 3/20 0.42
▸ CYP2D6 P10635 1/20 0.41
▸ ALDH1A1 P00352 1/20 0.41
▸ MAPK1 P28482 1/20 0.41
▸ TACR2 P21452 3/20 0.41
▸ CDC25B P30305 5/20 0.40
▸ TSHR P16473 1/20 0.40
▸ PRKCA P17252 1/20 0.40
▸ AKT1 P31749 1/20 0.40
▸ PTK2 Q05397 1/20 0.40
▸ PTPN6 P29350 2/20 0.39
▸ SELP P16109 1/20 0.39

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
SCHEMBL14413403 0.91 NT5E (0.51) NT5EGJB2PTPN1PTPN2PTPN11
SCHEMBL14416242 0.91 NT5E (0.51) NT5EGJB2PTPN1PTPN2PTPN11
SCHEMBL22677727 0.90 SSTR1 (0.50) NT5EGJB2PTPN1PTPN2PTPN11
SCHEMBL13541650 0.88 CYP2D6 (0.51) CYP2D6ALDH1A1MAPK1TSHRPRKCA
SCHEMBL15617817 0.88 CYP2D6 (0.51) CYP2D6ALDH1A1MAPK1TSHRPRKCA
SCHEMBL14413406 0.87 NT5E (0.47) NT5EGJB2PTPN1PTPN2PTPN11
SCHEMBL20306742 0.86 NT5E (0.51) NT5EPTPN1PTPN2PTPN11TACR2
SCHEMBL15975386 0.86 NT5E (0.48) NT5EGJB2PTPN1PTPN2PTPN11
SCHEMBL15975402 0.86 NT5E (0.45) NT5EGJB2PTPN1PTPN2PTPN11
SCHEMBL14416240 0.86 NT5E (0.47) NT5EGJB2PTPN1PTPN2PTPN11

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
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