SCHEMBL29425907

SCHEMBL29425907

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

nearest known ligand 0.43

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ ACHE P22303 1/20 0.40
▸ TYR P14679 1/20 0.40
▸ SLC5A2 P31639 1/20 0.38
▸ HSP90AA1 P07900 1/20 0.37

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
SCHEMBL29425854 0.75 L3MBTL1 (0.50) ACHETYRSLC5A2
SCHEMBL16227542 0.68 SLC5A2 (0.61) ACHETYRSLC5A2
SCHEMBL14975517 0.68 SLC5A2 (0.61) ACHETYRSLC5A2
SCHEMBL14975518 0.68 SLC5A2 (0.61) ACHETYRSLC5A2
SCHEMBL29426042 0.67 L3MBTL1 (0.57) TYRHSP90AA1
SCHEMBL21538918 0.66 MEN1 (0.46) —
SCHEMBL6282017 0.66 TYR (0.51) ACHETYRSLC5A2
SCHEMBL7065715 0.66 TYR (0.55) TYRSLC5A2
SCHEMBL25839647 0.65 GAA (0.51) ACHE
SCHEMBL3383042 0.65 PTPN1 (0.49) TYR

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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