SCHEMBL8546264

SCHEMBL8546264

COC(=O)CCC(C(=O)c1cccc(OCc2ccccc2)c1)c1cccc(OC)c1

nearest known ligand 0.70

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAOB P27338 2/20 0.51
MRGPRX4 Q96LA9 1/20 0.51
NR4A2 P43354 1/20 0.50
SMPD1 P17405 2/20 0.49
PTPN1 P18031 1/20 0.47
KMT2A Q03164 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
HTR1A P08908 1/20 0.46
ADRA2A P08913 1/20 0.46
DRD1 P21728 1/20 0.46
SLC6A2 P23975 1/20 0.46
SLC6A4 P31645 1/20 0.46
ADRA1A P35348 1/20 0.46
OPRM1 P35372 1/20 0.46
DRD3 P35462 1/20 0.46
SLC6A3 Q01959 1/20 0.46
KCNH2 Q12809 1/20 0.46
GPR132 Q9UNW8 1/20 0.46
SRD5A2 P31213 1/20 0.46

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
SCHEMBL8543419 0.94 MAOB (0.55) MAOBNR4A2SMPD1PTPN1KMT2A
SCHEMBL7901063 0.92 MAOB (0.53) MAOBMRGPRX4NR4A2SMPD1PTPN1
SCHEMBL7901058 0.92 MAOB (0.53) MAOBMRGPRX4NR4A2SMPD1PTPN1
SCHEMBL8546084 0.90 NR4A2 (0.52) MAOBNR4A2SMPD1PTPN1KMT2A
SCHEMBL8551278 0.88 MAOB (0.52) MAOBNR4A2SMPD1PTPN1KMT2A
SCHEMBL8551050 0.87 MAOB (0.48) MAOBMRGPRX4NR4A2SMPD1PTPN1
SCHEMBL8549185 0.87 NR4A2 (0.54) MAOBMRGPRX4NR4A2SMPD1PTPN1
SCHEMBL8549880 0.86 MAOB (0.51) MAOBMRGPRX4NR4A2SMPD1PTPN1
SCHEMBL8545953 0.84 MAOB (0.51) MAOBNR4A2SMPD1PTPN1KMT2A
SCHEMBL8545812 0.84 MAOB (0.51) MAOBNR4A2SMPD1PTPN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0728128-B1 SUBSTITUTED PHENYL COMPOUNDS RHONE POULENC RORER LTD (GB) 1998-09-16 EP claimed