SCHEMBL30558037

SCHEMBL30558037

CC1=C[C@@H](O)[C@@H]2C=CO[C@@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)[C@H]12

nearest known ligand 0.75

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ L3MBTL1 Q9Y468 1/20 0.75
▸ POLB P06746 2/20 0.43
▸ HSP90AA1 P07900 7/20 0.42
▸ XDH P47989 1/20 0.42
▸ EPHX2 P34913 1/20 0.39
▸ MAPT P10636 1/20 0.39
▸ SLC5A2 P31639 1/20 0.38
▸ CTDSP1 Q9GZU7 1/20 0.38
▸ MEN1 O00255 1/20 0.38
▸ KMT2A Q03164 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
Aucubin SCHEMBL22680275 0.86 L3MBTL1 (1.00) L3MBTL1HSP90AA1XDHMEN1KMT2A
Aucubin SCHEMBL381032 0.86 L3MBTL1 (1.00) L3MBTL1HSP90AA1XDHMEN1KMT2A
Aucubin SCHEMBL22680274 0.86 L3MBTL1 (1.00) L3MBTL1HSP90AA1XDHMEN1KMT2A
Agnuside SCHEMBL24174405 0.75 L3MBTL1 (0.67) L3MBTL1HSP90AA1XDH
SCHEMBL29425941 0.74 L3MBTL1 (0.56) L3MBTL1HSP90AA1XDHMAPTMEN1
SCHEMBL30854808 0.74 L3MBTL1 (0.56) L3MBTL1POLBHSP90AA1XDHMAPT
SCHEMBL30489394 0.74 L3MBTL1 (0.54) L3MBTL1MEN1KMT2A
SCHEMBL14268486 0.74 L3MBTL1 (0.54) L3MBTL1MEN1KMT2A
SCHEMBL31530638 0.74 L3MBTL1 (0.54) L3MBTL1MEN1KMT2A
SCHEMBL29440258 0.74 L3MBTL1 (0.54) L3MBTL1MEN1KMT2A

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
CN-111533772-B Preparation method of iridoid compound, iridoid compound and application 西北农林科技大学 2023-08-15 — — CN disclosed
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