SCHEMBL29425989

SCHEMBL29425989

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](C)[C@@H](OC(=O)C3=CO[C@@H](O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)[C@H]4[C@@H]3CC[C@@H]4C)C[C@H]12

nearest known ligand 0.73

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ STAT3 P40763 18/20 0.73
▸ MAPT P10636 2/20 0.60
▸ MEN1 O00255 1/20 0.59
▸ KMT2A Q03164 1/20 0.59

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
SCHEMBL29741405 0.90 STAT3 (0.75) STAT3MAPTMEN1KMT2A
Loganin SCHEMBL29425815 0.85 STAT3 (1.00) STAT3MAPTMEN1KMT2A
Loganin SCHEMBL29402517 0.85 STAT3 (1.00) STAT3MAPTMEN1KMT2A
Loganin SCHEMBL21114425 0.85 STAT3 (1.00) STAT3MAPTMEN1KMT2A
Loganin SCHEMBL23805434 0.85 STAT3 (1.00) STAT3MAPTMEN1KMT2A
Loganin SCHEMBL23805433 0.85 STAT3 (1.00) STAT3MAPTMEN1KMT2A
Loganin SCHEMBL307017 0.85 STAT3 (1.00) STAT3MAPTMEN1KMT2A
SCHEMBL420495 0.83 STAT3 (0.62) STAT3MAPTMEN1KMT2A
SCHEMBL29425864 0.83 STAT3 (0.64) STAT3MAPT
SCHEMBL424371 0.83 STAT3 (0.61) STAT3MAPTMEN1KMT2A

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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