SCHEMBL381990

SCHEMBL381990

CC1(C)CC(O)[C@]2(C(=O)O)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CCC(O)C(C)(C)C5=CC[C@]43C)[C@H]2C1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RELA Q04206 7/20 0.61
NFKB1 P19838 5/20 0.61
NFKB2 Q00653 5/20 0.61
F3 P13726 4/20 0.52
CYP3A4 P08684 4/20 0.52
SIRT5 Q9NXA8 3/20 0.52
MAPK1 P28482 1/20 0.52
OXTR P30559 1/20 0.52
AVPR1A P37288 1/20 0.52
CD81 P60033 1/20 0.52
IKBKB O14920 2/20 0.47
PTPN1 P18031 4/20 0.46
POLB P06746 3/20 0.46
PTPN2 P17706 3/20 0.46
USP2 O75604 3/20 0.46
PSMB11 A5LHX3 2/20 0.46
PSMA7 O14818 2/20 0.46
AKR1B10 O60218 2/20 0.46
PLA2G1B P04054 2/20 0.46
PTPRC P08575 2/20 0.46

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
SCHEMBL382749 0.81 NFKB1 (0.55) RELANFKB1NFKB2IKBKBPTPN1
Echinocystic Acid SCHEMBL42864 0.69 F3 (1.00) RELANFKB1NFKB2F3CYP3A4
Echinocystic Acid SCHEMBL18712289 0.69 F3 (1.00) RELANFKB1NFKB2F3CYP3A4
Echinocystic Acid SCHEMBL741321 0.69 F3 (1.00) RELANFKB1NFKB2F3CYP3A4
Echinocystic Acid SCHEMBL13629642 0.69 F3 (1.00) RELANFKB1NFKB2F3CYP3A4
Echinocystic Acid SCHEMBL18704435 0.69 F3 (1.00) RELANFKB1NFKB2F3CYP3A4
Echinocystic Acid SCHEMBL18712288 0.69 F3 (1.00) RELANFKB1NFKB2F3CYP3A4
Echinocystic Acid SCHEMBL17030511 0.69 F3 (1.00) RELANFKB1NFKB2F3CYP3A4
Echinocystic Acid SCHEMBL21892162 0.69 F3 (1.00) RELANFKB1NFKB2F3CYP3A4
Echinocystic Acid SCHEMBL4454760 0.69 F3 (1.00) RELANFKB1NFKB2F3CYP3A4

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