SCHEMBL5889604

SCHEMBL5889604

COc1cc(-c2cccc(C=CC=O)c2)ccc1OCc1ccccc1

nearest known ligand 0.58

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CCNB2 O95067 2/20 0.58
CDK1 P06493 2/20 0.58
CDK4 P11802 2/20 0.58
CCNB1 P14635 2/20 0.58
CCND1 P24385 2/20 0.58
CCNB3 Q8WWL7 2/20 0.58
APP P05067 7/20 0.52
ALDH1A1 P00352 4/20 0.49
HPGD P15428 2/20 0.49
KDM4E B2RXH2 2/20 0.49
HTT P42858 1/20 0.49
USP2 O75604 1/20 0.49
LMNA P02545 1/20 0.49
TSHR P16473 1/20 0.49
HSD17B10 Q99714 1/20 0.49
ERN1 O75460 2/20 0.48
TRPA1 O75762 1/20 0.48
MTNR1A P48039 1/20 0.48
SMN1; SMN2 Q16637 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
SCHEMBL5889603 1.00 CCNB2 (0.58) CCNB2CDK1CDK4CCNB1CCND1
SCHEMBL5890080 0.95 CCNB2 (0.58) CCNB2CDK1CDK4CCNB1CCND1
SCHEMBL5890075 0.95 CCNB2 (0.58) CCNB2CDK1CDK4CCNB1CCND1
SCHEMBL5702554 0.88 APP (0.65) CCNB2CDK1CDK4CCNB1CCND1
SCHEMBL5702556 0.88 APP (0.65) CCNB2CDK1CDK4CCNB1CCND1
SCHEMBL5889923 0.87 CDK4 (0.60) CCNB2CDK1CDK4CCNB1CCND1
SCHEMBL5889922 0.87 CDK4 (0.60) CCNB2CDK1CDK4CCNB1CCND1
SCHEMBL5889698 0.87 CDK4 (0.60) CCNB2CDK1CDK4CCNB1CCND1
SCHEMBL5889696 0.87 CDK4 (0.60) CCNB2CDK1CDK4CCNB1CCND1
SCHEMBL18149088 0.86 CCNB2 (0.52) CCNB2CDK1CDK4CCNB1CCND1

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