SCHEMBL6735912

SCHEMBL6735912

Cc1cc(C=CC=O)ccc1OCc1ccccc1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK4 P11802 4/20 0.60
CCND1 P24385 4/20 0.60
CCNB2 O95067 3/20 0.60
CDK1 P06493 3/20 0.60
CCNB1 P14635 3/20 0.60
CCNB3 Q8WWL7 3/20 0.60
FFAR4 Q5NUL3 2/20 0.51
KDM4E B2RXH2 2/20 0.50
LMNA P02545 1/20 0.50
APP P05067 3/20 0.47
S1PR1 P21453 1/20 0.46
NPC1 O15118 1/20 0.45
MAPT P10636 1/20 0.45
RAB9A P51151 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
ALDH1A1 P00352 2/20 0.45
HPGD P15428 2/20 0.45
HTT P42858 1/20 0.45
RECQL P46063 1/20 0.44

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
SCHEMBL6735911 1.00 CDK4 (0.60) CDK4CCND1CCNB2CDK1CCNB1
SCHEMBL7265006 0.89 CDK4 (0.60) CDK4CCND1CCNB2CDK1CCNB1
SCHEMBL7264998 0.89 CDK4 (0.60) CDK4CCND1CCNB2CDK1CCNB1
SCHEMBL5889922 0.87 CDK4 (0.60) CDK4CCND1CCNB2CDK1CCNB1
SCHEMBL5889923 0.87 CDK4 (0.60) CDK4CCND1CCNB2CDK1CCNB1
SCHEMBL7086040 0.87 CCNB2 (0.65) CDK4CCND1CCNB2CDK1CCNB1
SCHEMBL980151 0.85 MAOA (0.56) FFAR4KDM4ELMNANPC1MAPT
SCHEMBL27396127 0.85 LCK (0.57) FFAR4KDM4ELMNAAPPNPC1
SCHEMBL5702556 0.85 APP (0.65) CDK4CCND1CCNB2CDK1CCNB1
SCHEMBL4623828 0.85 PDCD1 (0.60) CDK4CCND1CCNB2CDK1CCNB1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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
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
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