SCHEMBL7229336

SCHEMBL7229336

Cc1ccc(/C=C/C=O)c(OCc2ccccc2)c1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK4 P11802 3/20 0.68
CCND1 P24385 3/20 0.68
CCNB2 O95067 2/20 0.68
CDK1 P06493 2/20 0.68
CCNB1 P14635 2/20 0.68
CCNB3 Q8WWL7 2/20 0.68
PTGER1 P34995 4/20 0.48
PTGER4 P35408 4/20 0.48
PTGER3 P43115 4/20 0.48
PTGER2 P43116 4/20 0.48
HDAC8 Q9BY41 1/20 0.48
STAT3 P40763 1/20 0.47
HTT P42858 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
MAPT P10636 2/20 0.45
MAPK1 P28482 1/20 0.45
TDP1 Q9NUW8 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
MAOB P27338 3/20 0.43
MRGPRX4 Q96LA9 3/20 0.43

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
SCHEMBL7229340 1.00 CDK4 (0.68) CDK4CCND1CCNB2CDK1CCNB1
SCHEMBL3035265 0.87 MAPT (0.50) CDK4CCND1CCNB2CDK1CCNB1
SCHEMBL19999733 0.85 CCNB2 (0.48) CDK4CCND1CCNB2CDK1CCNB1
SCHEMBL6735216 0.84 CDK4 (0.70) CDK4CCND1CCNB2CDK1CCNB1
SCHEMBL4622268 0.83 HDAC8 (0.68) CDK4CCND1CCNB2CDK1CCNB1
SCHEMBL4622274 0.83 HDAC8 (0.68) CDK4CCND1CCNB2CDK1CCNB1
SCHEMBL19999728 0.83 HDAC8 (0.48) CDK4CCND1CCNB2CDK1CCNB1
SCHEMBL7272039 0.82 CDK4 (1.00) CDK4CCND1CCNB2CDK1CCNB1
SCHEMBL3906735 0.82 CDK4 (1.00) CDK4CCND1CCNB2CDK1CCNB1
SCHEMBL8322912 0.81 MAPT (0.49) 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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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