SCHEMBL5824199

SCHEMBL5824199

C/C=C(\C)CCC=C(C)CC1(c2ccc(O)cc2)CC(=O)c2c(O)cc(O)cc2O1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.45
PDE4D Q08499 3/20 0.41
ACHE P22303 3/20 0.41
BCHE P06276 2/20 0.41
PTPN1 P18031 3/20 0.40
PTGS2 P35354 2/20 0.37
ABCG2 Q9UNQ0 1/20 0.36
TP53 P04637 1/20 0.35
MDM2 Q00987 1/20 0.35
CYP19A1 P11511 3/20 0.35
CYP3A4 P08684 2/20 0.35
MEN1 O00255 1/20 0.35
ALOX12 P18054 1/20 0.35
KMT2A Q03164 1/20 0.35
CA12 O43570 1/20 0.35
SLCO2B1 O94956 1/20 0.35
TTR P02766 1/20 0.35
ESR1 P03372 1/20 0.35
SHBG P04278 1/20 0.35
CYP1A1 P04798 1/20 0.35

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
SCHEMBL30123589 0.84 PDE4D (0.47) ALDH1A1PDE4DACHEBCHEPTPN1
SCHEMBL29716695 0.80 ALDH1A1 (0.51) ALDH1A1PDE4DPTPN1CYP19A1CYP3A4
SCHEMBL4456941 0.80 ALDH1A1 (0.51) ALDH1A1PDE4DPTPN1CYP19A1CYP3A4
SCHEMBL29895476 0.80 ALDH1A1 (0.51) ALDH1A1PDE4DPTPN1CYP19A1CYP3A4
SCHEMBL707507 0.76 ALDH1A1 (0.46) ALDH1A1PDE4DACHEBCHEPTPN1
SCHEMBL19469655 0.74 ALDH1A1 (0.51) ALDH1A1PTPN1PTGS2CYP19A1CYP3A4
SCHEMBL30472907 0.71 PTPN1 (0.53) ALDH1A1PTPN1PTGS2CYP19A1CYP3A4
SCHEMBL30593801 0.70 ALDH1A1 (0.65) ALDH1A1PTPN1PTGS2CYP19A1CYP3A4
SCHEMBL38656303 0.69 ALDH1A1 (0.58) ALDH1A1PTPN1PTGS2TP53CYP19A1
SCHEMBL3973540 0.69 ALDH1A1 (0.58) ALDH1A1PTPN1PTGS2TP53CYP19A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101208436-B Enzymatic demethylation of flavonoids UNIV GENT 2012-10-03 CN disclosed
CN-1893963-B Production of hop extracts having oestrogenic and antiproliferative bioactivity BIODYNAMICS 2010-09-29 CN disclosed
CN-101208436-A Enzymatic demethylation of flavonoids UNIV GENT (BE) 2008-06-25 CN disclosed
CN-1893963-A Production of hop extracts having oestrogenic and antiproliferative bioactivity BIODYNAMICS (BE) 2007-01-10 CN disclosed
CN-1269942-C Hop extracts, method for the production and use thereof SCHWABE WILLMAR GMBH & CO (DE) 2006-08-16 CN disclosed
JP-2006131594-A CARCINOGENISIS PREVENTING AGENT UNIV NIHON 2006-05-25 JP disclosed
CN-1541262-A Hop extracts, method for the production and use thereof ά�����ʩ�߿˲�ʿ���Ϲ�˾ 2004-10-27 CN disclosed