SCHEMBL8551050

SCHEMBL8551050

COC(=O)CCC(C(=O)c1cccc(OCc2ccccc2)c1)c1ccc(Cl)c(Cl)c1

nearest known ligand 0.63

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAOB P27338 2/20 0.48
MRGPRX4 Q96LA9 2/20 0.47
NR4A2 P43354 3/20 0.47
HDAC1 Q13547 1/20 0.47
HDAC8 Q9BY41 1/20 0.47
HDAC6 Q9UBN7 1/20 0.47
SMPD1 P17405 1/20 0.47
PTPN1 P18031 1/20 0.45
GPR132 Q9UNW8 1/20 0.44
BCL2L1 Q07817 2/20 0.44
MCL1 Q07820 2/20 0.44
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
SRD5A2 P31213 1/20 0.43
MAOA P21397 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
SCHEMBL8549185 0.90 NR4A2 (0.54) MAOBMRGPRX4NR4A2SMPD1PTPN1
SCHEMBL7901062 0.90 NR4A2 (0.51) MAOBMRGPRX4NR4A2HDAC1HDAC8
SCHEMBL7901059 0.90 NR4A2 (0.51) MAOBMRGPRX4NR4A2HDAC1HDAC8
SCHEMBL8546084 0.89 NR4A2 (0.52) MAOBNR4A2SMPD1PTPN1GPR132
SCHEMBL8543419 0.89 MAOB (0.55) MAOBNR4A2SMPD1PTPN1GPR132
SCHEMBL8546264 0.87 MAOB (0.51) MAOBMRGPRX4NR4A2SMPD1PTPN1
SCHEMBL8545953 0.87 MAOB (0.51) MAOBNR4A2HDAC1HDAC8HDAC6
SCHEMBL8551278 0.87 MAOB (0.52) MAOBNR4A2SMPD1PTPN1GPR132
SCHEMBL8550294 0.86 MAOB (0.50) MAOBNR4A2HDAC1HDAC8HDAC6
SCHEMBL8546173 0.83 MAOB (0.47) MAOBMRGPRX4NR4A2HDAC1HDAC8

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