SCHEMBL29425854

SCHEMBL29425854

OC[C@@H]1C(CO[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)=C[C@@H]2OC=C[C@@H]21

nearest known ligand 0.50

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ L3MBTL1 Q9Y468 1/20 0.50
▸ TYR P14679 1/20 0.40
▸ ACHE P22303 1/20 0.38
▸ SLC5A2 P31639 1/20 0.38
▸ GAA P10253 1/20 0.38
▸ POLB P06746 1/20 0.38

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
SCHEMBL29425907 0.75 ACHE (0.40) TYRACHESLC5A2
SCHEMBL29425737 0.71 L3MBTL1 (0.35) L3MBTL1
SCHEMBL16227542 0.69 SLC5A2 (0.61) TYRACHESLC5A2GAA
SCHEMBL14975517 0.69 SLC5A2 (0.61) TYRACHESLC5A2GAA
SCHEMBL14975518 0.69 SLC5A2 (0.61) TYRACHESLC5A2GAA
Aucubin SCHEMBL22680274 0.67 L3MBTL1 (1.00) L3MBTL1
Aucubin SCHEMBL22680275 0.67 L3MBTL1 (1.00) L3MBTL1
SCHEMBL6282017 0.67 TYR (0.51) TYRACHESLC5A2GAAPOLB
SCHEMBL7065715 0.67 TYR (0.55) TYRSLC5A2GAA
SCHEMBL9849387 0.66 SLC6A2 (0.57) TYRSLC5A2GAAPOLB

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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