SCHEMBL2403631

SCHEMBL2403631

COc1cc(C=C([C]=O)C(=O)C=Cc2ccc(O)c(O)c2)ccc1O

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GLO1 Q04760 5/20 0.67
ABL1 P00519 1/20 0.67
IKBKB O14920 2/20 0.62
CHUK O15111 2/20 0.62
IKBKG Q9Y6K9 2/20 0.62
SNCA P37840 4/20 0.59
NFKB1 P19838 3/20 0.59
CYP2D6 P10635 3/20 0.59
CYP1A2 P05177 2/20 0.59
ALOX5 P09917 2/20 0.59
HSD11B1 P28845 2/20 0.59
STAT3 P40763 2/20 0.59
NFKB2 Q00653 2/20 0.59
RELA Q04206 2/20 0.59
NFE2L2 Q16236 2/20 0.59
APP P05067 3/20 0.58
KDM4E B2RXH2 2/20 0.58
CA12 O43570 2/20 0.58
CA1 P00915 2/20 0.58
CA2 P00918 2/20 0.58

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
SCHEMBL79945 0.96 GLO1 (0.71) GLO1ABL1IKBKBCHUKIKBKG
SCHEMBL2910901 0.90 SNCA (0.73) GLO1ABL1IKBKBCHUKIKBKG
SCHEMBL7686675 0.88 KDM4E (0.56) SNCANFKB1CYP1A2ALOX5APP
SCHEMBL30192607 0.83 CYP2D6 (0.70) GLO1ABL1IKBKBCHUKIKBKG
SCHEMBL15228430 0.80 MAPT (0.68) GLO1ABL1IKBKBCHUKIKBKG
SCHEMBL19824721 0.80 CYP2D6 (0.91) GLO1ABL1SNCANFKB1CYP2D6
Ferulate SCHEMBL289637 0.79 KDM4E (0.91) GLO1ABL1SNCANFKB1CYP2D6
Ferulate SCHEMBL29069307 0.79 KDM4E (0.91) GLO1ABL1SNCANFKB1CYP2D6
SCHEMBL29642906 0.79 CYP2D6 (0.77) GLO1ABL1IKBKBCHUKIKBKG
SCHEMBL31621191 0.79 CYP2D6 (0.77) GLO1ABL1IKBKBCHUKIKBKG

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
EP-1893034-B8 PROCESSES FOR ISOLATING BITTER COMPOUNDS FOR USE IN FOOD AND BEVERAGE PRODUCTS FOLGER COFFEE CO (US) 2012-06-27 EP disclosed
EP-1893034-B1 PROCESSES FOR ISOLATING BITTER COMPOUNDS FOR USE IN FOOD AND BEVERAGE PRODUCTS FOLGERS COFFEE CO (US) 2012-05-23 EP disclosed
US-20110212240-A1 PROCESSES FOR ISOLATING BITTER QUINIDES FOR USE IN FOOD AND BEVERAGE PRODUCTS THE FOLGERS COFFEE COMPANY (US) 2011-09-01 US disclosed
EP-1893034-A2 PROCESSES FOR ISOLATING BITTER COMPOUNDS FOR USE IN FOOD AND BEVERAGE PRODUCTS The Procter and Gamble Company (US) 2008-03-05 EP disclosed
US-20070003678-A1 Processes for isolating bitter quinides for use in food and beverage products THE PROCTER & GAMBLE COMPANY (US) 2007-01-04 US disclosed
WO-2007002112-A2 PROCESSES FOR ISOLATING BITTER COMPOUNDS FOR USE IN FOOD AND BEVERAGE PRODUCTS THE PROCTER & GAMBLE COMPANY (US) 2007-01-04 WO disclosed
US-20060286238-A1 Processes for isolating bitter quinides for use in food and beverage products THE PROCTER & GAMBLE COMPANY 2006-12-21 US disclosed