SCHEMBL4622274

SCHEMBL4622274

COc1ccc(C=CC=O)c(OCc2ccccc2)c1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC8 Q9BY41 2/20 0.68
CDK4 P11802 3/20 0.65
CCND1 P24385 3/20 0.65
CCNB2 O95067 2/20 0.65
CDK1 P06493 2/20 0.65
CCNB1 P14635 2/20 0.65
CCNB3 Q8WWL7 2/20 0.65
MAPT P10636 2/20 0.51
KDM4E B2RXH2 1/20 0.51
POLB P06746 1/20 0.51
HTT P42858 1/20 0.51
RECQL P46063 1/20 0.51
NPSR1 Q6W5P4 1/20 0.51
CYP1A1 P04798 3/20 0.50
CYP1A2 P05177 3/20 0.50
CYP1B1 Q16678 3/20 0.50
MAOB P27338 2/20 0.50
ABCB1 P08183 2/20 0.47
HTR1A P08908 1/20 0.47
DRD2 P14416 1/20 0.47

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
SCHEMBL4622268 1.00 HDAC8 (0.68) HDAC8CDK4CCND1CCNB2CDK1
SCHEMBL7272006 0.91 CDK4 (0.68) HDAC8CDK4CCND1CCNB2CDK1
SCHEMBL7272001 0.91 CDK4 (0.68) HDAC8CDK4CCND1CCNB2CDK1
SCHEMBL6735216 0.90 CDK4 (0.70) HDAC8CDK4CCND1CCNB2CDK1
SCHEMBL7228421 0.89 CCNB2 (0.61) HDAC8CDK4CCND1CCNB2CDK1
SCHEMBL7228424 0.89 CCNB2 (0.61) HDAC8CDK4CCND1CCNB2CDK1
SCHEMBL1311076 0.87 HDAC8 (0.65) HDAC8MAPTKDM4EPOLBHTT
SCHEMBL20006886 0.85 HDAC8 (0.66) HDAC8MAPTKDM4EPOLBHTT
SCHEMBL6035013 0.84 HDAC8 (0.80) HDAC8MAPTKDM4EPOLBHTT
SCHEMBL6035015 0.84 HDAC8 (0.80) HDAC8MAPTKDM4EPOLBHTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1070726-B1 ASPARTYL DIPEPTIDE ESTER DERIVATIVES AND SWEETENERS AJINOMOTO KK (JP) 2008-02-20 EP disclosed
CN-1192036-C Novel aspartyl dipeptide ester derivatives and sweeteners AJINOMOTO KK (JP) 2005-03-09 CN disclosed
CN-1181090-C Aspartyl dipeptide ester derivatives and sweeteners ֮����ʽ���� 2004-12-22 CN disclosed
US-6761922-B2 MIXING AN ASPARTYL DIPEPTIDE ESTER COMPOUND OR SALT WITH A SOLID FILLER SELECTED FROM SUGAR, SUGAR ALCOHOL, OLIGOSACCHARIDE AND POLYSACCHARIDE AJINOMOTO CO., INC. (JP) 2004-07-13 US disclosed
US-20040105928-A1 Sweetener compositions and uses thereof AJINOMOTO CO. INC (JP) 2004-06-03 US disclosed
US-6652901-B2 Sweetener compositions and uses thereof AJINOMOTO CO., INC. (JP) 2003-11-25 US disclosed
US-6630191-B1 Such as N-(N-(3-(3-hydroxy-4-methoxyphenyl)propyl)-L-alpha-aspartyl)-L -(alphamethyl)phenylalanine-1-methyl ester; stability; safety AJINOMOTO CO., INC. (JP) 2003-10-07 US disclosed
US-6548096-B1 Aspartyl dipeptide ester derivatives and sweeteners AJINOMOTO CO., INC. (JP) 2003-04-15 US disclosed
CN-1407991-A Solid sweetener composition, liquid sweetener composition, and use thereof AJINOMOTO KK (JP) 2003-04-02 CN disclosed
US-20030059511-A1 Sweetener compositions and uses thereof AJINOMOTO CO., INC. (JP) 2003-03-27 US disclosed
US-20030044502-A1 Sweetener compositions containing aspartyl dipeptide ester compounds AJINOMOTO CO. INC (JP) 2003-03-06 US disclosed
CN-1378557-A Sweetener compositions with high degree of sweeteness having improved sweeteness, corrigents and utilization thereof AJINOMOTO KK (JP) 2002-11-06 CN disclosed
EP-1223175-A1 SOLID SWEETENER COMPOSITIONS, LIQUID SWEETENER COMPOSITIONS AND UTILIZATION THEREOF Ajinomoto Co., Inc. (JP) 2002-07-17 EP disclosed
EP-1221448-A1 SWEETENER COMPOSITIONS WITH HIGH DEGREE OF SWEETNESS HAVING IMPROVED SWEETNESS, CORRIGENTS AND UTILIZATION THEREOF Ajinomoto Co., Inc. (JP) 2002-07-10 EP disclosed
CN-1307585-A Novel aspartyl dipeptide ester derivatives and sweeteners AJINOMOTO KK (JP) 2001-08-08 CN disclosed
CN-1296493-A Aspartyl dipeptide ester derivatives and sweeteners AJINOMOTO KK (JP) 2001-05-23 CN disclosed
EP-1088829-A1 NOVEL ASPARTYL DIPEPTIDE ESTER DERIVATIVES AND SWEETENERS Ajinomoto Co., Inc. (JP) 2001-04-04 EP disclosed
EP-1070726-A1 ASPARTYL DIPEPTIDE ESTER DERIVATIVES AND SWEETENERS Ajinomoto Co., Inc. (JP) 2001-01-24 EP disclosed