SCHEMBL1933140

SCHEMBL1933140

C=CCc1c(O)cc(O)c(C(C)=O)c1O

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGES O14684 2/20 0.58
ALOX5 P09917 2/20 0.58
PTGS1 P23219 1/20 0.58
PTGS2 P35354 1/20 0.58
SMPD1 P17405 2/20 0.44
MEN1 O00255 3/20 0.42
KMT2A Q03164 3/20 0.42
CYP3A4 P08684 2/20 0.42
HPGD P15428 2/20 0.42
CTSL P07711 1/20 0.39
MGAM O43451 1/20 0.38
APP P05067 1/20 0.38
PTPN1 P18031 1/20 0.38
BACE1 P56817 1/20 0.38
MAOB P27338 1/20 0.37
PRKCI P41743 1/20 0.37
POLB P06746 1/20 0.37
FFAR1 O14842 2/20 0.36
CYP1A2 P05177 1/20 0.36
CYP2D6 P10635 1/20 0.36

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
SCHEMBL31576819 0.83 ALOX5 (0.76) PTGESALOX5PTGS1PTGS2SMPD1
SCHEMBL9578229 0.83 ALOX5 (0.76) PTGESALOX5PTGS1PTGS2SMPD1
SCHEMBL13893459 0.80 PTGES (0.54) PTGESALOX5PTGS1PTGS2SMPD1
SCHEMBL22139408 0.79 XDH (0.45) PTGESALOX5PTGS1PTGS2MEN1
SCHEMBL5844884 0.78 PTGES (0.36) PTGESALOX5PTGS1PTGS2MEN1
SCHEMBL2649487 0.78 KDM4E (0.39) PTGESALOX5PTGS1PTGS2MEN1
SCHEMBL13978665 0.75 THRB (0.45) ALOX5PTGS1MEN1KMT2ACYP3A4
SCHEMBL1258932 0.74 CYP3A4 (0.64) PTGESALOX5PTGS1PTGS2MEN1
SCHEMBL29495886 0.74 ALOX5 (1.00) PTGESALOX5PTGS1PTGS2CTSL
SCHEMBL11107375 0.73 KDM4E (0.43) ALOX5PTGS1PTGS2MEN1KMT2A

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
US-20110130447-A1 Production of hop extracts having oestrogenic and antiproliferative bioactivity MAES FRANCIS 2011-06-02 US disclosed
EP-1727555-B1 PRODUCTION OF HOP EXTRACTS HAVING OESTROGENIC AND ANTIPROLIFERATIVE BIOACTIVITY METAGENICS BELGIUM BVBA (BE) 2009-04-29 EP disclosed
WO-2007053915-A2 NARINGENIN DERIVATIVES WITH SELECTIVITY ON ERS UNIVERSITEIT GENT (BE) 2007-05-18 WO disclosed
US-20070110835-A1 Method for the production of enriched hop extracts having combined oestrogenic and antiproliferative bioactivity METAGENICS BELGIUM BVBA (BE) 2007-05-17 US disclosed
EP-1727555-A1 PRODUCTION OF HOP EXTRACTS HAVING OESTROGENIC AND ANTIPROLIFERATIVE BIOACTIVITY Biodynamics (BE) 2006-12-06 EP disclosed
WO-2005058336-A1 PRODUCTION OF HOP EXTRACTS HAVING OESTROGENIC AND ANTIPROLIFERATIVE BIOACTIVITY BIODYNAMICS (BE) 2005-06-30 WO disclosed
EP-1543834-A1 Production of hop extracts having oestrogenic and antiproliferative bioactivity Biodynamics (BE) 2005-06-22 EP disclosed
US-5234951-A Anti-ulcer agent comprising chalcone derivative TSUMURA JUNTENDO, INC. (JP) 1993-08-10 US disclosed
US-5106871-A Reduced side effects TSUMURA & CO. (JP) 1992-04-21 US disclosed
EP-0292576-A1 ANTI-ULCEROUS AGENT CONTAINING CHALCONE DERIVATIVE AS EFFECTIVE INGREDIENT AND NOVEL CHALCONE DERIVATIVES TSUMURA & CO. (JP) 1988-11-30 EP disclosed