SCHEMBL28090068

SCHEMBL28090068

O=C(OC[C@H]1O[C@](O)(C(=O)c2cc(O)c(O)c(O)c2)[C@H](O)[C@@H](O)[C@@H]1O)c1cc(O)c(O)c(O)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TDP1 Q9NUW8 2/20 0.47
▸ SERPINE1 P05121 5/20 0.44
▸ L3MBTL1 Q9Y468 2/20 0.42
▸ TMPRSS2 O15393 1/20 0.42
▸ USP2 O75604 1/20 0.42
▸ PDE5A O76074 1/20 0.42
▸ CA1 P00915 1/20 0.42
▸ CA2 P00918 1/20 0.42
▸ HMGCR P04035 1/20 0.42
▸ CYP1A2 P05177 1/20 0.42
▸ LCK P06239 1/20 0.42
▸ FYN P06241 1/20 0.42
▸ HSPD1 P10809 1/20 0.42
▸ CYP2C9 P11712 1/20 0.42
▸ CA6 P23280 1/20 0.42
▸ TBXAS1 P24557 1/20 0.42
▸ MAPK3 P27361 1/20 0.42
▸ MAPK1 P28482 1/20 0.42
▸ HSPE1 P61604 1/20 0.42
▸ MAPK14 Q16539 1/20 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
SCHEMBL30957936 0.83 AKR1B1 (0.48) —
SCHEMBL15797632 0.83 AKR1B1 (0.48) —
SCHEMBL2788555 0.79 TMPRSS2 (0.52) TDP1SERPINE1L3MBTL1TMPRSS2USP2
SCHEMBL29456049 0.79 SERPINE1 (0.45) TDP1SERPINE1L3MBTL1TMPRSS2USP2
SCHEMBL27979279 0.75 TDP1 (0.57) TDP1SERPINE1L3MBTL1TMPRSS2USP2
SCHEMBL13430935 0.75 TDP1 (0.57) TDP1SERPINE1L3MBTL1TMPRSS2USP2
Ginnalin B SCHEMBL15389467 0.74 PTPN1 (0.50) TDP1SERPINE1L3MBTL1TMPRSS2USP2
Ginnalin B SCHEMBL15394645 0.74 PTPN1 (0.50) TDP1SERPINE1L3MBTL1TMPRSS2USP2
Ginnalin B SCHEMBL29280178 0.74 PTPN1 (0.50) TDP1SERPINE1L3MBTL1TMPRSS2USP2
SCHEMBL19145553 0.73 TDP1 (0.68) TDP1SERPINE1L3MBTL1TMPRSS2USP2

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
CN-105859803-A Galloyl glucose preparation method 中国农业科学院特产研究所 2016-08-17 — — CN disclosed
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