SCHEMBL7264998

SCHEMBL7264998

Cc1ccc(/C=C/C=O)cc1OCc1ccccc1

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
KDM4E B2RXH2 3/20 0.50
LMNA P02545 1/20 0.50
APP P05067 5/20 0.47
ALDH1A1 P00352 3/20 0.45
HPGD P15428 3/20 0.45
HTT P42858 2/20 0.45
XDH P47989 1/20 0.44
AKR1C3 P42330 2/20 0.44
MAPK1 P28482 3/20 0.44
MAPT P10636 2/20 0.44
L3MBTL1 Q9Y468 2/20 0.44
NTSR1 P30989 2/20 0.44
TDP1 Q9NUW8 1/20 0.44
GAA P10253 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
SCHEMBL7265006 1.00 CDK4 (0.60) CDK4CCND1CCNB2CDK1CCNB1
SCHEMBL6735911 0.89 CDK4 (0.60) CDK4CCND1CCNB2CDK1CCNB1
SCHEMBL6735912 0.89 CDK4 (0.60) CDK4CCND1CCNB2CDK1CCNB1
SCHEMBL5889698 0.87 CDK4 (0.60) CDK4CCND1CCNB2CDK1CCNB1
SCHEMBL5889696 0.87 CDK4 (0.60) CDK4CCND1CCNB2CDK1CCNB1
SCHEMBL7086040 0.87 CCNB2 (0.65) CDK4CCND1CCNB2CDK1CCNB1
SCHEMBL187352 0.85 MAOA (0.56) CDK4CCND1CCNB2CDK1CCNB1
SCHEMBL5702556 0.85 APP (0.65) CDK4CCND1CCNB2CDK1CCNB1
SCHEMBL4623825 0.85 PDCD1 (0.60) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6548096-B1 Aspartyl dipeptide ester derivatives and sweeteners AJINOMOTO CO., INC. (JP) 2003-04-15 US disclosed
EP-1070726-A1 ASPARTYL DIPEPTIDE ESTER DERIVATIVES AND SWEETENERS Ajinomoto Co., Inc. (JP) 2001-01-24 EP disclosed