SCHEMBL382749

SCHEMBL382749

CC(=O)OC1CC[C@@]2(C)C(=CC[C@]3(C)[C@@H]2CC=C2[C@H]4CC(C)(C)CC(OC(C)=O)[C@]4(C(=O)O)CC[C@]23C)C1(C)C

nearest known ligand 0.55

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
NFKB1 P19838 13/20 0.55
NFKB2 Q00653 13/20 0.55
RELA Q04206 13/20 0.55
IKBKB O14920 6/20 0.55
POLB P06746 1/20 0.53
BCL2L1 Q07817 2/20 0.50
PTPN1 P18031 1/20 0.49
USP2 O75604 1/20 0.49

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
SCHEMBL381990 0.81 RELA (0.61) NFKB1NFKB2RELAIKBKBPOLB
SCHEMBL6383039 0.70 PTPN1 (0.54) RELAPOLBPTPN1USP2
Lantanilic Acid SCHEMBL30014810 0.68 NFKB1 (0.69) NFKB1NFKB2RELAIKBKBBCL2L1
Camaric Acid SCHEMBL30014910 0.67 NFKB1 (0.68) NFKB1NFKB2RELAIKBKBBCL2L1
SCHEMBL30308940 0.66 NFKB1 (0.66) NFKB1NFKB2RELAIKBKBPOLB
Acetyl Oleanolic Acid SCHEMBL23284080 0.66 PTPN1 (1.00) RELAPOLBPTPN1USP2
SCHEMBL25132324 0.66 MEN1 (0.81) POLBPTPN1USP2
SCHEMBL20640288 0.66 MEN1 (0.81) POLBPTPN1USP2
SCHEMBL23610479 0.66 MEN1 (0.81) POLBPTPN1USP2
Acetyl Oleanolic Acid SCHEMBL22151955 0.66 PTPN1 (1.00) RELAPOLBPTPN1USP2

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
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
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