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Sugi Predict / Compounds / SCHEMBL29426030

SCHEMBL29426030

SCHEMBL29426030

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)O[C@H]2C[C@@H]3C(C(=O)OC)=CO[C@@H](O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)[C@@H]3[C@H]2C)[C@H]1C/C=C(\C=O)[C@@H]1C(C(=O)O[C@H]2C[C@@H]3C(C(=O)OC)=CO[C@@H](O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)[C@@H]3[C@H]2C)=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 0.58

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ STAT3 P40763 18/20 0.58
▸ MAPT P10636 1/20 0.47

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
SCHEMBL29420372 1.00 STAT3 (0.58) STAT3MAPT
SCHEMBL29425773 1.00 STAT3 (0.58) STAT3MAPT
SCHEMBL29425864 0.91 STAT3 (0.64) STAT3MAPT
SCHEMBL29629350 0.88 POLB (0.49) STAT3MAPT
SCHEMBL29391273 0.88 POLB (0.49) STAT3MAPT
SCHEMBL29425829 0.87 STAT3 (0.66) STAT3MAPT
SCHEMBL29425767 0.85 STAT3 (0.62) STAT3MAPT
SCHEMBL29425822 0.85 POLB (0.47) STAT3MAPT
SCHEMBL30132816 0.83 STAT3 (0.59) STAT3MAPT
SCHEMBL29425952 0.82 STAT3 (0.58) 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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