SCHEMBL27488704

SCHEMBL27488704

C=CC(=O)c1cccc(OCc2ccccc2)c1

nearest known ligand 0.70

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
NR4A2 P43354 6/20 0.70
MAOB P27338 2/20 0.67
SMPD1 P17405 2/20 0.63
SRD5A2 P31213 1/20 0.62
PTPN1 P18031 1/20 0.60
MEN1 O00255 1/20 0.56
KMT2A Q03164 1/20 0.56
NR1H4 Q96RI1 1/20 0.55
ALDH1A1 P00352 2/20 0.55
KDM4E B2RXH2 1/20 0.55
PKM P14618 1/20 0.55
MRGPRX4 Q96LA9 1/20 0.55
GPR132 Q9UNW8 1/20 0.54

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
SCHEMBL11561702 0.87 NR4A2 (0.72) NR4A2MAOBSMPD1SRD5A2PTPN1
Water SCHEMBL10958624 0.85 NR4A2 (0.70) NR4A2MAOBSMPD1SRD5A2PTPN1
SCHEMBL1443169 0.83 NR4A1 (0.68) NR4A2MAOBSRD5A2PTPN1ALDH1A1
SCHEMBL6950489 0.83 NR4A2 (0.67) NR4A2MAOBSMPD1SRD5A2PTPN1
SCHEMBL27666250 0.83 NR4A2 (0.67) NR4A2MAOBSMPD1SRD5A2PTPN1
SCHEMBL2503383 0.83 MAOB (0.68) NR4A2MAOBSMPD1SRD5A2PTPN1
SCHEMBL2503385 0.83 MAOB (0.68) NR4A2MAOBSMPD1SRD5A2PTPN1
SCHEMBL6950492 0.83 NR4A2 (0.67) NR4A2MAOBSMPD1SRD5A2PTPN1
SCHEMBL7908051 0.83 SRD5A2 (0.85) NR4A2MAOBSMPD1SRD5A2PTPN1
SCHEMBL339009 0.83 NR4A2 (1.00) NR4A2MAOBSMPD1SRD5A2PTPN1

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
CN-1181090-C Aspartyl dipeptide ester derivatives and sweeteners ֮����ʽ���� 2004-12-22 CN disclosed
CN-1296493-A Aspartyl dipeptide ester derivatives and sweeteners AJINOMOTO KK (JP) 2001-05-23 CN disclosed