SCHEMBL29426200

SCHEMBL29426200

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@@H]1OC[C@H]2O[C@@H](O[C@@H]3OC=C(C(=O)OC)[C@H]4C[C@H](O)[C@H](C)[C@@H]34)[C@H](O)[C@@H](O)[C@@H]2O1

nearest known ligand 0.66

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ STAT3 P40763 18/20 0.66
▸ MAPT P10636 1/20 0.55

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
Korolkoside SCHEMBL20572323 0.86 STAT3 (0.44) STAT3MAPT
SCHEMBL29425923 0.84 STAT3 (0.58) STAT3MAPT
SCHEMBL29425948 0.84 STAT3 (0.58) STAT3MAPT
SCHEMBL29426226 0.83 STAT3 (0.64) STAT3MAPT
SCHEMBL29425952 0.82 STAT3 (0.58) STAT3MAPT
SCHEMBL29425916 0.82 STAT3 (0.58) STAT3MAPT
Loganin SCHEMBL23805434 0.81 STAT3 (1.00) STAT3MAPT
Loganin SCHEMBL21114425 0.81 STAT3 (1.00) STAT3MAPT
Loganin SCHEMBL307017 0.81 STAT3 (1.00) STAT3MAPT
Loganin SCHEMBL23805433 0.81 STAT3 (1.00) STAT3MAPT

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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