SCHEMBL382208

SCHEMBL382208

COc1ccc([C@H]2CC(=O)c3cc(O)c(OC)c(OC)c3O2)cc1O

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 6/20 0.62
MAPT P10636 3/20 0.57
TP53 P04637 2/20 0.57
CYP3A4 P08684 2/20 0.57
XDH P47989 2/20 0.57
ATM Q13315 2/20 0.57
NPC1 O15118 2/20 0.57
RAB9A P51151 2/20 0.57
CYP1A1 P04798 2/20 0.57
CYP1A2 P05177 2/20 0.57
CYP1B1 Q16678 2/20 0.57
HPGD P15428 1/20 0.57
SMN1; SMN2 Q16637 1/20 0.57
PKM P14618 1/20 0.57
CA12 O43570 1/20 0.57
KDM1A O60341 1/20 0.57
ALDH1A1 P00352 1/20 0.57
CYP2D6 P10635 1/20 0.57
CYP2C9 P11712 1/20 0.57
TSHR P16473 1/20 0.57

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
SCHEMBL19736057 0.93 CYP19A1 (0.62) CYP19A1MAPTTP53CYP3A4XDH
SCHEMBL12878874 0.85 CYP19A1 (0.65) CYP19A1MAPTTP53CYP3A4XDH
SCHEMBL14829728 0.85 CYP19A1 (0.65) CYP19A1MAPTTP53CYP3A4XDH
SCHEMBL2319144 0.85 CYP19A1 (0.68) CYP19A1MAPTTP53CYP3A4XDH
SCHEMBL7605711 0.82 ODC1 (0.48) CYP19A1MAPTTP53CYP3A4XDH
SCHEMBL2124058 0.82 CYP19A1 (0.68) CYP19A1MAPTTP53CYP3A4XDH
SCHEMBL15453094 0.82 CYP19A1 (0.64) CYP19A1MAPTTP53CYP3A4XDH
SCHEMBL16894660 0.82 ODC1 (0.50) CYP19A1MAPTABCG2PTPN1POLB
SCHEMBL17559164 0.81 CYP19A1 (0.65) CYP19A1MAPTTP53CYP3A4XDH
SCHEMBL22397665 0.80 KDM4E (0.72) CYP19A1MAPTTP53CYP3A4XDH

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 6 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
US-7259148-B2 Hepatoprotective activity of 2′-p-hydroxybenzoylmussaenosidic acid COUNCIL OF SCIENTIFIC & INDUSTRIAL RESEARCH (IN) 2007-08-21 US disclosed
EP-1503773-A1 HEPATOPROTECTIVE ACTIVITY OF 2 -P-HYDROXYBENZOYLMUSSAENOSIDIC ACID Council of Scientific and Industrial Research (IN) 2005-02-09 EP 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