SCHEMBL29425976

SCHEMBL29425976

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]1C=C[C@@]2(O)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]1CC[C@]2(C)O

nearest known ligand 0.70

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ POLB P06746 1/20 0.70
▸ CTDSP1 Q9GZU7 1/20 0.70
▸ STAT3 P40763 17/20 0.52
▸ MEN1 O00255 1/20 0.46
▸ MAPT P10636 1/20 0.46
▸ KMT2A Q03164 1/20 0.46

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
SCHEMBL29425982 0.88 POLB (0.62) POLBCTDSP1STAT3MEN1MAPT
SCHEMBL9056451 0.88 POLB (0.62) POLBCTDSP1STAT3MEN1MAPT
Gardenoside SCHEMBL306407 0.83 POLB (1.00) POLBCTDSP1STAT3MEN1MAPT
Galioside SCHEMBL29431810 0.83 POLB (1.00) POLBCTDSP1STAT3MEN1MAPT
SCHEMBL2636258 0.80 MAPT (0.61) POLBCTDSP1STAT3MEN1MAPT
SCHEMBL31179880 0.79 POLB (0.64) POLBCTDSP1STAT3MEN1MAPT
SCHEMBL29425841 0.74 POLB (0.46) POLBCTDSP1STAT3MEN1MAPT
SCHEMBL422338 0.73 POLB (0.80) POLBCTDSP1STAT3MEN1MAPT
SCHEMBL422339 0.73 POLB (0.80) POLBCTDSP1STAT3MEN1MAPT
Gardenoside SCHEMBL6824467 0.73 POLB (0.78) POLBCTDSP1STAT3MEN1MAPT

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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