SCHEMBL29425853

SCHEMBL29425853

C[C@@H]1[C@H]2[C@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)OC=C(C=O)[C@@]2(O)C[C@@H]1O

nearest known ligand 0.48

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 2/20 0.48
▸ STAT3 P40763 11/20 0.47
▸ POLB P06746 1/20 0.46
▸ CTDSP1 Q9GZU7 1/20 0.46
▸ MEN1 O00255 1/20 0.42
▸ KMT2A Q03164 1/20 0.42
▸ HSP90AA1 P07900 2/20 0.40

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
SCHEMBL29516847 0.84 POLB (0.46) MAPTSTAT3POLBCTDSP1MEN1
SCHEMBL9058007 0.72 POLB (0.46) MAPTSTAT3POLBCTDSP1MEN1
Shanzhiside SCHEMBL306203 0.70 MAPT (0.58) MAPTSTAT3POLBCTDSP1MEN1
SCHEMBL29425813 0.69 POLB (0.59) MAPTSTAT3POLBCTDSP1MEN1
Shanzhiside Methyl Ester SCHEMBL28007134 0.69 POLB (0.62) MAPTSTAT3POLBCTDSP1MEN1
SCHEMBL29354606 0.67 HSP90AA1 (0.52) MAPTPOLBCTDSP1MEN1KMT2A
SCHEMBL29425841 0.67 POLB (0.46) MAPTSTAT3POLBCTDSP1MEN1
SCHEMBL23374513 0.65 L3MBTL1 (0.50) MAPTSTAT3MEN1KMT2A
SCHEMBL18068917 0.65 L3MBTL1 (0.50) MAPTSTAT3MEN1KMT2A
Loganic Acid SCHEMBL31179995 0.65 MAPT (1.00) MAPTSTAT3MEN1KMT2A

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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