SCHEMBL5889707

SCHEMBL5889707

O=CC=Cc1cccc(-c2ccc(OCc3ccccc3)cc2)c1

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCNB2 O95067 4/20 0.73
CDK1 P06493 4/20 0.73
CDK4 P11802 4/20 0.73
CCNB1 P14635 4/20 0.73
CCND1 P24385 4/20 0.73
CCNB3 Q8WWL7 4/20 0.73
LCK P06239 1/20 0.57
MAOA P21397 2/20 0.52
MAOB P27338 2/20 0.52
GSTP1 P09211 2/20 0.51
KDM4E B2RXH2 1/20 0.50
ALDH1A1 P00352 1/20 0.50
PKM P14618 1/20 0.50
MCL1 Q07820 1/20 0.49
PTGER4 P35408 1/20 0.48
PTGER3 P43115 1/20 0.48
FFAR1 O14842 3/20 0.48
TLR4 O00206 1/20 0.48
TLR2 O60603 1/20 0.48
AKR1B1 P15121 1/20 0.48

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
SCHEMBL5889708 1.00 CCNB2 (0.73) CCNB2CDK1CDK4CCNB1CCND1
SCHEMBL2807881 0.86 MAOA (0.70) CCNB2CDK1CDK4CCNB1CCND1
SCHEMBL7264489 0.85 CCNB2 (1.00) CCNB2CDK1CDK4CCNB1CCND1
SCHEMBL7264492 0.85 CCNB2 (1.00) CCNB2CDK1CDK4CCNB1CCND1
SCHEMBL5889684 0.84 CCNB2 (0.69) CCNB2CDK1CDK4CCNB1CCND1
SCHEMBL5889683 0.84 CCNB2 (0.69) CCNB2CDK1CDK4CCNB1CCND1
SCHEMBL1161218 0.83 KDM4E (0.74) LCKKDM4EALDH1A1PKMMCL1
SCHEMBL1161220 0.83 KDM4E (0.74) LCKKDM4EALDH1A1PKMMCL1
SCHEMBL7806237 0.83 CCNB2 (0.70) CCNB2CDK1CDK4CCNB1CCND1
SCHEMBL3907985 0.83 CCNB2 (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