SCHEMBL9312735

SCHEMBL9312735

O[C@@H]1[C@H](O)[C@@H](OCc2ccccc2)[C@H](O[C@H]2O[C@H](COCc3ccccc3)[C@@H](O)[C@H](OCc3ccccc3)[C@H]2OCc2ccccc2)O[C@@H]1COCc1ccccc1

nearest known ligand 0.52

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ SLC6A2 P23975 2/20 0.52
▸ GJB2 P29033 3/20 0.52
▸ PTPN1 P18031 9/20 0.48
▸ PTPN2 P17706 5/20 0.48
▸ PTPN11 Q06124 5/20 0.48
▸ NT5E P21589 1/20 0.47
▸ CDC25B P30305 7/20 0.46
▸ PTPN6 P29350 4/20 0.46
▸ GJA1 P17302 1/20 0.44
▸ SSTR1 P30872 1/20 0.44
▸ SSTR2 P30874 1/20 0.44
▸ SSTR4 P31391 1/20 0.44
▸ SSTR3 P32745 1/20 0.44
▸ SSTR5 P35346 1/20 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
SCHEMBL7753913 0.96 SLC6A2 (0.52) SLC6A2GJB2PTPN1PTPN2PTPN11
SCHEMBL25585675 0.90 NT5E (0.51) SLC6A2GJB2PTPN1PTPN2PTPN11
SCHEMBL7154719 0.90 NT5E (0.51) SLC6A2GJB2PTPN1PTPN2PTPN11
SCHEMBL27652412 0.90 NT5E (0.51) SLC6A2GJB2PTPN1PTPN2PTPN11
SCHEMBL23742931 0.90 NT5E (0.51) SLC6A2GJB2PTPN1PTPN2PTPN11
SCHEMBL24479039 0.90 SLC6A2 (0.53) SLC6A2GJB2PTPN1PTPN2PTPN11
SCHEMBL7639364 0.90 NT5E (0.51) SLC6A2GJB2PTPN1PTPN2PTPN11
SCHEMBL7156143 0.90 NT5E (0.51) SLC6A2GJB2PTPN1PTPN2PTPN11
SCHEMBL10865849 0.90 SLC6A2 (0.53) SLC6A2GJB2PTPN1PTPN2PTPN11
SCHEMBL7155265 0.90 NT5E (0.51) SLC6A2GJB2PTPN1PTPN2PTPN11

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-5371202-A Processes of preparing sialoglycosyl compounds THE NISSHIN OIL MILLS, LTD. (JP) 1994-12-06 — — US disclosed
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