SCHEMBL29426080

SCHEMBL29426080

CCO[C@@H]1OCC[C@H]2[C@H](O)[C@@H]3O[C@]3(CO)[C@@H]12

nearest known ligand 0.39

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
▸ HSP90AA1 P07900 2/20 0.39

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
Dihydrocatalpol SCHEMBL29500389 0.75 HSP90AA1 (0.64) HSP90AA1
SCHEMBL7153445 0.67 GBA1 (0.31) —
SCHEMBL8056044 0.60 ALDH1A1 (0.37) —
SCHEMBL18455931 0.60 — —
SCHEMBL18551967 0.60 — —
SCHEMBL10577123 0.59 CA1 (0.32) —
SCHEMBL10577115 0.59 CA1 (0.32) —
SCHEMBL2941357 0.56 — —
SCHEMBL9168872 0.55 MEN1 (0.38) —
Methyl Alcohol SCHEMBL22394613 0.55 — —

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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