SCHEMBL31345813

SCHEMBL31345813

OC[C@H]1O[C@@H](O[C@@H]2C3OC3(CO)[C@H]3[C@H](O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)OC=C[C@H]32)[C@H](O)[C@@H](O)[C@H]1O

nearest known ligand 0.83

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ HSP90AA1 P07900 9/20 0.70
▸ XDH P47989 1/20 0.69
▸ L3MBTL1 Q9Y468 1/20 0.50
▸ MEN1 O00255 1/20 0.46
▸ KMT2A Q03164 1/20 0.46
▸ POLB P06746 1/20 0.41
▸ CTDSP1 Q9GZU7 1/20 0.41
▸ LGALS8 O00214 1/20 0.36
▸ LGALS3 P17931 1/20 0.36
▸ LGALS4 P56470 1/20 0.36
▸ KDM4E B2RXH2 1/20 0.36
▸ GLA P06280 1/20 0.36
▸ CYP3A4 P08684 1/20 0.36
▸ PTPN1 P18031 1/20 0.36

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
Methylcatalpol SCHEMBL29425882 0.93 HSP90AA1 (0.67) HSP90AA1XDHL3MBTL1MEN1KMT2A
Catalpol SCHEMBL29374095 0.91 HSP90AA1 (0.65) HSP90AA1XDHL3MBTL1MEN1KMT2A
Catalpol SCHEMBL420515 0.91 HSP90AA1 (0.65) HSP90AA1XDHL3MBTL1MEN1KMT2A
Catalpol SCHEMBL17231369 0.91 HSP90AA1 (0.65) HSP90AA1XDHL3MBTL1MEN1KMT2A
SCHEMBL29478493 0.85 HSP90AA1 (0.59) HSP90AA1XDHL3MBTL1MEN1KMT2A
Catalposide SCHEMBL419598 0.83 HSP90AA1 (1.00) HSP90AA1XDHL3MBTL1MEN1KMT2A
SCHEMBL20714336 0.82 HSP90AA1 (0.55) HSP90AA1XDHL3MBTL1MEN1KMT2A
SCHEMBL20382966 0.82 HSP90AA1 (0.55) HSP90AA1XDHL3MBTL1MEN1KMT2A
SCHEMBL420373 0.82 HSP90AA1 (0.73) HSP90AA1XDHPOLBCTDSP1LGALS3
Verproside SCHEMBL31619362 0.81 HSP90AA1 (0.83) HSP90AA1XDHL3MBTL1POLBCTDSP1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2025024478-A1 COMPOSITIONS FOR THE MODULATION OF TASTE IXORA SCIENTIFIC INC. (US) 2025-01-30 — — WO claimed
WO-2025024478-A1 COMPOSITIONS FOR THE MODULATION OF TASTE IXORA SCIENTIFIC INC. (US) 2025-01-30 — — WO disclosed
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