SCHEMBL29425991

SCHEMBL29425991

COC(=O)C1=CO[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@H]2[C@@H]1[C@@H]1O[C@@H]1[C@@]2(O)C=O

nearest known ligand 0.61

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ POLB P06746 1/20 0.61
▸ CTDSP1 Q9GZU7 1/20 0.61
▸ JUN P05412 2/20 0.58
▸ STAT3 P40763 14/20 0.53
▸ MEN1 O00255 1/20 0.52
▸ MAPT P10636 1/20 0.52
▸ KMT2A Q03164 1/20 0.52
▸ ELANE P08246 1/20 0.48

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
Citrifolinin B Epimer A SCHEMBL31179903 0.86 POLB (0.61) POLBCTDSP1JUNSTAT3MEN1
Lamalbid SCHEMBL9056954 0.82 POLB (0.66) POLBCTDSP1JUNSTAT3MEN1
Phlorigidoside C SCHEMBL29425891 0.80 POLB (0.61) POLBCTDSP1JUNSTAT3MEN1
Shanzhiside Methyl Ester SCHEMBL12207355 0.79 POLB (0.62) POLBCTDSP1JUNSTAT3MEN1
Shanzhiside Methyl Ester SCHEMBL29965826 0.79 POLB (0.62) POLBCTDSP1JUNSTAT3MEN1
Shanzhiside Methyl Ester SCHEMBL28007134 0.79 POLB (0.62) POLBCTDSP1JUNSTAT3MEN1
Chlorotuberoside SCHEMBL29425799 0.79 POLB (0.62) POLBCTDSP1JUNSTAT3MEN1
SCHEMBL30833264 0.78 POLB (0.51) POLBCTDSP1JUNSTAT3MEN1
SCHEMBL29426006 0.77 STAT3 (0.64) POLBCTDSP1STAT3MEN1MAPT
SCHEMBL419101 0.76 JUN (0.50) POLBCTDSP1JUNSTAT3MEN1

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-3409766-B1 AN ESTERASE THAT IS CAPABLE OF CONVERTING IRIDOIDS AND SECO-IRIDOIDS N ZYME BIOTEC GMBH (DE) 2022-03-09 — — EP disclosed
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