SCHEMBL29425822

SCHEMBL29425822

C=C[C@H]1[C@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)OC=C(C(=O)OC)[C@H]1C/C=C(/C=O)[C@@H]1C(C(=O)O)=CO[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H]1C=C

nearest known ligand 0.48

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ POLB P06746 1/20 0.47
▸ CTDSP1 Q9GZU7 1/20 0.47
▸ STAT3 P40763 14/20 0.47
▸ MAPT P10636 2/20 0.46
▸ MEN1 O00255 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
SCHEMBL29391273 0.96 POLB (0.49) POLBCTDSP1STAT3MAPTMEN1
SCHEMBL29629350 0.96 POLB (0.49) POLBCTDSP1STAT3MAPTMEN1
Secologanin SCHEMBL431171 0.86 STAT3 (0.55) POLBCTDSP1STAT3MAPTMEN1
SCHEMBL29426030 0.85 STAT3 (0.58) STAT3MAPT
SCHEMBL29425773 0.85 STAT3 (0.58) STAT3MAPT
SCHEMBL29420372 0.85 STAT3 (0.58) STAT3MAPT
SCHEMBL28663748 0.85 STAT3 (0.55) POLBCTDSP1STAT3MAPTMEN1
SCHEMBL31006406 0.81 STAT3 (0.55) POLBCTDSP1STAT3MAPTMEN1
SCHEMBL2135809 0.81 STAT3 (0.52) POLBCTDSP1STAT3MAPTMEN1
SCHEMBL2135813 0.81 STAT3 (0.52) POLBCTDSP1STAT3MAPTMEN1

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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