SCHEMBL20382966

SCHEMBL20382966

CCC1OC(O[C@@H]2OC=C[C@H]3[C@H](O)[C@@H]4O[C@]4(CO)[C@@H]23)C(O)C(O)C1O

nearest known ligand 0.83

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ HSP90AA1 P07900 9/20 0.55
▸ XDH P47989 1/20 0.54
▸ L3MBTL1 Q9Y468 1/20 0.43
▸ POLB P06746 1/20 0.37
▸ CTDSP1 Q9GZU7 1/20 0.37
▸ MEN1 O00255 1/20 0.34
▸ KMT2A Q03164 1/20 0.34
▸ KDM4E B2RXH2 1/20 0.31
▸ GLA P06280 1/20 0.31
▸ CYP3A4 P08684 1/20 0.31
▸ SYNJ2 O15056 1/20 0.31

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
Catalpol SCHEMBL420515 0.91 HSP90AA1 (0.65) HSP90AA1XDHL3MBTL1POLBCTDSP1
Catalpol SCHEMBL17231369 0.91 HSP90AA1 (0.65) HSP90AA1XDHL3MBTL1POLBCTDSP1
Catalpol SCHEMBL29374095 0.91 HSP90AA1 (0.65) HSP90AA1XDHL3MBTL1POLBCTDSP1
SCHEMBL29478493 0.85 HSP90AA1 (0.59) HSP90AA1XDHL3MBTL1POLBCTDSP1
SCHEMBL20714336 0.82 HSP90AA1 (0.55) HSP90AA1XDHL3MBTL1POLBCTDSP1
SCHEMBL31345813 0.82 HSP90AA1 (0.70) HSP90AA1XDHL3MBTL1POLBCTDSP1
Methylcatalpol SCHEMBL29425882 0.82 HSP90AA1 (0.67) HSP90AA1XDHL3MBTL1POLBCTDSP1
SCHEMBL10307818 0.76 L3MBTL1 (0.53) HSP90AA1XDHL3MBTL1POLBCTDSP1
Picroside I SCHEMBL29362839 0.76 HSP90AA1 (0.64) HSP90AA1XDHKDM4EGLACYP3A4
Picroside I SCHEMBL14361938 0.76 HSP90AA1 (0.64) HSP90AA1XDHKDM4EGLACYP3A4

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-2932972-B1 NEW APPLICATION OF CATALPOL SUZHOU YOUSEEN NEW PHARMACY DEV CO LTD (CN) 2018-07-18 — — EP disclosed
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