SCHEMBL29594415

SCHEMBL29594415

C/C(=C\CO)CC/C=C(\C)C(=O)O[C@H]1[C@@H]2C=CO[C@@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)[C@@H]2[C@@]2(CO)O[C@@H]12

nearest known ligand 0.61

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ HSP90AA1 P07900 9/20 0.61
▸ XDH P47989 1/20 0.54
▸ L3MBTL1 Q9Y468 1/20 0.37
▸ POLB P06746 1/20 0.36
▸ CTDSP1 Q9GZU7 1/20 0.36
▸ KDM4E B2RXH2 1/20 0.34
▸ GLA P06280 1/20 0.34
▸ CYP3A4 P08684 1/20 0.34
▸ ALDH1A1 P00352 1/20 0.32
▸ TSHR P16473 1/20 0.32
▸ MEN1 O00255 2/20 0.32
▸ KMT2A Q03164 2/20 0.32
▸ STAT3 P40763 1/20 0.31
▸ MAPT P10636 1/20 0.30

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
SCHEMBL31345813 0.80 HSP90AA1 (0.70) HSP90AA1XDHL3MBTL1POLBCTDSP1
Methylcatalpol SCHEMBL29425882 0.79 HSP90AA1 (0.67) HSP90AA1XDHL3MBTL1POLBCTDSP1
Catalposide SCHEMBL419598 0.76 HSP90AA1 (1.00) HSP90AA1XDHL3MBTL1POLBCTDSP1
Catalpol SCHEMBL29374095 0.76 HSP90AA1 (0.65) HSP90AA1XDHL3MBTL1POLBCTDSP1
Catalpol SCHEMBL17231369 0.76 HSP90AA1 (0.65) HSP90AA1XDHL3MBTL1POLBCTDSP1
Catalpol SCHEMBL420515 0.76 HSP90AA1 (0.65) HSP90AA1XDHL3MBTL1POLBCTDSP1
Specioside SCHEMBL29426185 0.74 HSP90AA1 (1.00) HSP90AA1XDHKDM4EGLACYP3A4
Verproside SCHEMBL2449966 0.74 HSP90AA1 (0.83) HSP90AA1XDHL3MBTL1POLBCTDSP1
Verproside SCHEMBL31619362 0.74 HSP90AA1 (0.83) HSP90AA1XDHL3MBTL1POLBCTDSP1
Picroside Ii SCHEMBL24209283 0.73 HSP90AA1 (0.78) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220175002-A1 COMPOSITIONS COMPRISING MOGROSIDES, STEVIOL GLYCOSIDES AND GLYCOSYLATED DERIVATIVES THEREOF AND METHODS OF ENHANCING THE MOUTHFEEL OR SWEETNESS OF CONSUMABLES EPC Natural Products Co., Ltd (CN) 2022-06-09 — — US disclosed
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