SCHEMBL382085

SCHEMBL382085

CO[C@H]1C[C@@H]2[C@@H](C(COC(=O)c3ccc(O)cc3)=C[C@H]2O)[C@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)O1

nearest known ligand 0.47

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ STAT3 P40763 9/20 0.44
▸ HSP90AA1 P07900 4/20 0.43
▸ CA12 O43570 1/20 0.40
▸ CA1 P00915 1/20 0.40
▸ CA2 P00918 1/20 0.40
▸ CA9 Q16790 1/20 0.40
▸ CA14 Q9ULX7 1/20 0.40
▸ TYR P14679 1/20 0.39
▸ L3MBTL1 Q9Y468 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
Agnuside SCHEMBL13208121 0.77 L3MBTL1 (0.67) HSP90AA1CA12CA1CA2CA9
Agnuside SCHEMBL24174405 0.77 L3MBTL1 (0.67) HSP90AA1CA12CA1CA2CA9
Agnuside SCHEMBL382107 0.77 L3MBTL1 (0.67) HSP90AA1CA12CA1CA2CA9
SCHEMBL29426156 0.77 HSP90AA1 (0.49) HSP90AA1CA12CA1CA2CA9
SCHEMBL18330542 0.74 HSP90AA1 (0.73) STAT3HSP90AA1
SCHEMBL22360998 0.74 HSP90AA1 (0.73) STAT3HSP90AA1
SCHEMBL18319489 0.74 HSP90AA1 (0.73) STAT3HSP90AA1
SCHEMBL29425955 0.72 PTPN1 (0.57) STAT3
SCHEMBL7153129 0.70 L3MBTL1 (0.67) HSP90AA1CA12CA1CA2CA9
Trehalose SCHEMBL8733912 0.69 TYR (0.59) HSP90AA1TYR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1503773-B9 HEPATOPROTECTIVE ACTIVITY OF 2 -P-HYDROXYBENZOYLMUSSAENOSIDIC ACID COUNCIL SCIENT IND RES (IN) 2012-01-25 — — EP disclosed
EP-1503773-B1 HEPATOPROTECTIVE ACTIVITY OF 2 -P-HYDROXYBENZOYLMUSSAENOSIDIC ACID COUNCIL SCIENT IND RES (IN) 2011-03-30 — — EP disclosed
CN-100512811-C Hepatoprotective activity of 10-O-p-hydroxybenzoyl aucubin COUNCIL SCIENT IND RES (IN) 2009-07-15 — — CN disclosed
EP-1509223-B1 HEPATOPROTECTIVE ACTIVITY OF 10-O-P-HYDROXYBENZOYIAUCUBIN COUNCIL SCIENT IND RES (IN) 2008-08-20 — — EP disclosed
CN-100391465-C Hepatoprotective activity of 2' -p-hydroxybenzoylmussaenosidic acid COUNCIL SCIENT IND RES (IN) 2008-06-04 — — CN disclosed
US-7259148-B2 Hepatoprotective activity of 2′-p-hydroxybenzoylmussaenosidic acid COUNCIL OF SCIENTIFIC & INDUSTRIAL RESEARCH (IN) 2007-08-21 — — US disclosed
CN-1658865-A Hepatoprotective activity of 10-o-p-hydroxybenzoyiaucubin COUNCIL SCIENT IND RES (IN) 2005-08-24 — — CN disclosed
CN-1652808-A Hepatoprotective activity of 2' -p-hydroxybenzoylmussaenosidic acid COUNCIL SCIENT IND RES (IN) 2005-08-10 — — CN disclosed
EP-1509223-A1 HEPATOPROTECTIVE ACTIVITY OF 10-O-P-HYDROXYBENZOYIAUCUBIN Council Of Scientific And Industrial Research (IN) 2005-03-02 — — EP disclosed
EP-1503773-A1 HEPATOPROTECTIVE ACTIVITY OF 2 -P-HYDROXYBENZOYLMUSSAENOSIDIC ACID Council of Scientific and Industrial Research (IN) 2005-02-09 — — EP disclosed
US-20040029816-A1 Hepatoprotective activity of 10-O-P-hydroxybenzoyiaucubin COUNCIL OF SCIENTIFIC AND INDUSTRIAL RESEARCH 2004-02-12 — — US disclosed
US-20040014684-A1 Hepatoprotective activity of 2'-p-hydroxybenzoylmussaenosidic COUNCIL OF SCIENTIFIC AND INDUSTRIAL RESEARCH (IN) 2004-01-22 — — US disclosed
WO-2003094946-A1 HEPATOPROTECTIVE ACTIVITY OF 2'-P-HYDROXYBENZOYLMUSSAENOSIDIC ACID COUNCIL OF SCIENTIFIC AND INDUSTRIAL RESEARCH (IN) 2003-11-20 — — WO disclosed
WO-2003094911-A1 HEPATOPROTECTIVE ACTIVITY OF 10-O-P-HYDROXYBENZOYIAUCUBIN COUNCIL OF SCIENTIFIC AND INDUSTRIAL RESEARCH (IN) 2003-11-20 — — WO disclosed
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