SCHEMBL382209

SCHEMBL382209

COc1ccc(C2Oc3cc(OC)c(OC)c(O)c3CC2=O)cc1O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TUBB4A P04350 4/20 0.47
TUBB P07437 4/20 0.47
TUBA3C P0DPH7 4/20 0.47
TUBA1B P68363 4/20 0.47
TUBA4A P68366 4/20 0.47
TUBB4B P68371 4/20 0.47
TUBB3 Q13509 4/20 0.47
TUBB2A Q13885 4/20 0.47
TUBB8 Q3ZCM7 4/20 0.47
TUBA3E Q6PEY2 4/20 0.47
TUBA1A Q71U36 4/20 0.47
TUBA1C Q9BQE3 4/20 0.47
TUBB6 Q9BUF5 4/20 0.47
TUBB2B Q9BVA1 4/20 0.47
TUBB1 Q9H4B7 4/20 0.47
TAS2R31 P59538 1/20 0.47
XDH P47989 4/20 0.44
CYP19A1 P11511 3/20 0.44
TP53 P04637 2/20 0.44
CYP3A4 P08684 2/20 0.44

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
SCHEMBL8066879 0.87 GSK3B (0.46) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL2124063 0.84 TUBB4A (0.47) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL2319151 0.83 CYP19A1 (0.57) TAS2R31XDHCYP19A1TP53CYP3A4
SCHEMBL7605697 0.82 XDH (0.42) TAS2R31XDHHPGDSMN1; SMN2ALDH1A1
SCHEMBL18339272 0.82 CYP19A1 (0.45) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL27205452 0.82 CYP19A1 (0.45) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL14829729 0.82 CYP19A1 (0.52) TAS2R31XDHCYP19A1TP53CYP3A4
SCHEMBL29186041 0.82 CDK1 (0.44) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL4226006 0.82 TAS2R31 (0.45) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL27775453 0.81 NPC1 (0.44) TAS2R31XDHCYP19A1TP53CYP3A4

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 10 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
EP-1509223-B1 HEPATOPROTECTIVE ACTIVITY OF 10-O-P-HYDROXYBENZOYIAUCUBIN COUNCIL SCIENT IND RES (IN) 2008-08-20 EP disclosed
US-7259148-B2 Hepatoprotective activity of 2′-p-hydroxybenzoylmussaenosidic acid COUNCIL OF SCIENTIFIC & INDUSTRIAL RESEARCH (IN) 2007-08-21 US 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