SCHEMBL5889696

SCHEMBL5889696

Cc1ccc(-c2cccc(C=CC=O)c2)cc1OCc1ccccc1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK4 P11802 6/20 0.60
CCND1 P24385 6/20 0.60
CCNB2 O95067 4/20 0.60
CDK1 P06493 4/20 0.60
CCNB1 P14635 4/20 0.60
CCNB3 Q8WWL7 4/20 0.60
MRGPRX4 Q96LA9 1/20 0.45
MCL1 Q07820 1/20 0.44
MAOA P21397 3/20 0.42
MAOB P27338 3/20 0.42
MAPK1 P28482 2/20 0.41
KDR P35968 2/20 0.41
MAPT P10636 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
PIK3CD O00329 1/20 0.41
ABL1 P00519 1/20 0.41
HCK P08631 1/20 0.41
SRC P12931 1/20 0.41
PIK3CA P42336 1/20 0.41

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
SCHEMBL5889698 1.00 CDK4 (0.60) CDK4CCND1CCNB2CDK1CCNB1
SCHEMBL5889922 0.91 CDK4 (0.60) CDK4CCND1CCNB2CDK1CCNB1
SCHEMBL5889923 0.91 CDK4 (0.60) CDK4CCND1CCNB2CDK1CCNB1
SCHEMBL7265006 0.87 CDK4 (0.60) CDK4CCND1CCNB2CDK1CCNB1
SCHEMBL7264998 0.87 CDK4 (0.60) CDK4CCND1CCNB2CDK1CCNB1
SCHEMBL5890075 0.87 CCNB2 (0.58) CDK4CCND1CCNB2CDK1CCNB1
SCHEMBL5889603 0.87 CCNB2 (0.58) CDK4CCND1CCNB2CDK1CCNB1
SCHEMBL5889604 0.87 CCNB2 (0.58) CDK4CCND1CCNB2CDK1CCNB1
SCHEMBL5890080 0.87 CCNB2 (0.58) CDK4CCND1CCNB2CDK1CCNB1
SCHEMBL5889707 0.83 CCNB2 (0.73) 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-7115296-B2 N-alkylaspartyl amide derivative and sweetening agent AJINOMOTO CO., INC. (JP) 2006-10-03 US disclosed
US-20040071851-A1 Novel N-alkylaspartyl amide derivative and sweetening agent AJINOMOTO CO. INC (JP) 2004-04-15 US disclosed