SCHEMBL5889684

SCHEMBL5889684

O=CC=Cc1cccc(-c2ccc(OCc3ccccc3)cc2OCc2ccccc2)c1

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCNB2 O95067 4/20 0.69
CDK1 P06493 4/20 0.69
CDK4 P11802 4/20 0.69
CCNB1 P14635 4/20 0.69
CCND1 P24385 4/20 0.69
CCNB3 Q8WWL7 4/20 0.69
LCK P06239 1/20 0.51
MAOA P21397 4/20 0.50
MAOB P27338 4/20 0.50
KDM4E B2RXH2 1/20 0.48
ALDH1A1 P00352 1/20 0.48
PKM P14618 1/20 0.48
TLR4 O00206 1/20 0.46
TLR2 O60603 1/20 0.46
PTGER1 P34995 2/20 0.45
PTGER4 P35408 2/20 0.45
PTGER3 P43115 2/20 0.45
PTGER2 P43116 2/20 0.45
BACE1 P56817 1/20 0.43
TOP1 P11387 1/20 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
SCHEMBL5889683 1.00 CCNB2 (0.69) CCNB2CDK1CDK4CCNB1CCND1
SCHEMBL5890073 0.92 CCNB2 (0.58) CCNB2CDK1CDK4CCNB1CCND1
SCHEMBL5890076 0.92 CCNB2 (0.58) CCNB2CDK1CDK4CCNB1CCND1
SCHEMBL5889707 0.84 CCNB2 (0.73) CCNB2CDK1CDK4CCNB1CCND1
SCHEMBL5889708 0.84 CCNB2 (0.73) CCNB2CDK1CDK4CCNB1CCND1
SCHEMBL7264492 0.82 CCNB2 (1.00) CCNB2CDK1CDK4CCNB1CCND1
SCHEMBL7264489 0.82 CCNB2 (1.00) CCNB2CDK1CDK4CCNB1CCND1
SCHEMBL18995816 0.79 GSTP1 (0.58) MAOAMAOBKDM4EALDH1A1TOP1
SCHEMBL13802183 0.79 CCNB2 (0.76) CCNB2CDK1CDK4CCNB1CCND1
SCHEMBL6735216 0.79 CDK4 (0.70) 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