SCHEMBL10865849

SCHEMBL10865849

O[C@@H]1[C@H](O)[C@@H](OCc2ccccc2)C(OCc2ccccc2)O[C@@H]1COCc1ccccc1

nearest known ligand 0.56

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ SLC6A2 P23975 2/20 0.53
▸ GJB2 P29033 1/20 0.53
▸ PTPN1 P18031 8/20 0.51
▸ CDC25B P30305 8/20 0.51
▸ PTPN2 P17706 4/20 0.51
▸ PTPN6 P29350 4/20 0.51
▸ PTPN11 Q06124 4/20 0.51
▸ NT5E P21589 1/20 0.48
▸ HTR1A P08908 1/20 0.46
▸ CA1 P00915 1/20 0.46
▸ CA2 P00918 1/20 0.46
▸ CA9 Q16790 1/20 0.46
▸ GJA1 P17302 1/20 0.45

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
SCHEMBL24479039 1.00 SLC6A2 (0.53) SLC6A2GJB2PTPN1CDC25BPTPN2
SCHEMBL25585675 0.92 NT5E (0.51) SLC6A2GJB2PTPN1CDC25BPTPN2
SCHEMBL9853872 0.92 GJB2 (0.58) SLC6A2GJB2PTPN1CDC25BPTPN2
SCHEMBL27652412 0.92 NT5E (0.51) SLC6A2GJB2PTPN1CDC25BPTPN2
SCHEMBL23742931 0.92 NT5E (0.51) SLC6A2GJB2PTPN1CDC25BPTPN2
SCHEMBL7156143 0.92 NT5E (0.51) SLC6A2GJB2PTPN1CDC25BPTPN2
SCHEMBL7154719 0.92 NT5E (0.51) SLC6A2GJB2PTPN1CDC25BPTPN2
SCHEMBL7639364 0.92 NT5E (0.51) SLC6A2GJB2PTPN1CDC25BPTPN2
SCHEMBL6809787 0.92 GJB2 (0.58) SLC6A2GJB2PTPN1CDC25BPTPN2
SCHEMBL7155265 0.92 NT5E (0.51) SLC6A2GJB2PTPN1CDC25BPTPN2

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
EP-0166442-A2 Sialic acid derivatives, galactose derivatives and method for producing the same RIKAGAKU KENKYUSHO (JP) 1986-01-02 — — EP claimed
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