SCHEMBL27488702

SCHEMBL27488702

C=CC(=O)c1ccc(OCc2cccc(C)c2)cc1

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 9/20 0.71
NR1H4 Q96RI1 1/20 0.56
PTPRC P08575 1/20 0.52
PTPN1 P18031 1/20 0.52
MAOA P21397 2/20 0.52
PARP10 Q53GL7 1/20 0.51
FFAR1 O14842 3/20 0.51
TP53 P04637 2/20 0.49
PKM P14618 2/20 0.49
NFKB1 P19838 2/20 0.49
NFKB2 Q00653 2/20 0.49
RELA Q04206 2/20 0.49
SMN1; SMN2 Q16637 2/20 0.49
MRGPRX4 Q96LA9 2/20 0.49
NR4A2 P43354 1/20 0.49
RXRA P19793 1/20 0.49
RXRB P28702 1/20 0.49
RXRG P48443 1/20 0.49
RAB9A P51151 1/20 0.49
RXFP1 Q9HBX9 1/20 0.49

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
SCHEMBL13951781 0.83 MAOB (0.78) MAOBNR1H4PTPRCPTPN1TP53
SCHEMBL9545816 0.83 MAOB (1.00) MAOBNR1H4PTPRCPTPN1MAOA
SCHEMBL1443169 0.83 NR4A1 (0.68) MAOBPTPRCPTPN1PARP10FFAR1
SCHEMBL26104661 0.81 MAOB (0.74) MAOBNR1H4PTPRCPTPN1MAOA
SCHEMBL15296747 0.81 MAOB (0.74) MAOBNR1H4PTPRCPTPN1MAOA
SCHEMBL22804687 0.80 MAOB (0.62) MAOBNR1H4PTPRCPTPN1FFAR1
SCHEMBL22804690 0.80 MAOB (0.62) MAOBNR1H4PTPRCPTPN1FFAR1
SCHEMBL10866245 0.78 MAOB (0.69) MAOBNR1H4MAOAFFAR1
SCHEMBL257781 0.77 MAOB (0.69) MAOBMAOAFFAR1
SCHEMBL1673359 0.76 MAOB (0.63) MAOBNR1H4MAOAFFAR1

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1192036-C Novel aspartyl dipeptide ester derivatives and sweeteners AJINOMOTO KK (JP) 2005-03-09 CN disclosed
CN-1181090-C Aspartyl dipeptide ester derivatives and sweeteners ֮����ʽ���� 2004-12-22 CN disclosed
CN-1407991-A Solid sweetener composition, liquid sweetener composition, and use thereof AJINOMOTO KK (JP) 2003-04-02 CN disclosed
CN-1378557-A Sweetener compositions with high degree of sweeteness having improved sweeteness, corrigents and utilization thereof AJINOMOTO KK (JP) 2002-11-06 CN disclosed
CN-1307585-A Novel aspartyl dipeptide ester derivatives and sweeteners AJINOMOTO KK (JP) 2001-08-08 CN disclosed
CN-1296493-A Aspartyl dipeptide ester derivatives and sweeteners AJINOMOTO KK (JP) 2001-05-23 CN disclosed