SCHEMBL8550294

SCHEMBL8550294

COC(=O)CCC(C(=O)c1cccc(OCc2ccccc2)c1)c1ccccc1Cl

nearest known ligand 0.60

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAOB P27338 3/20 0.50
NR4A2 P43354 4/20 0.49
SMPD1 P17405 1/20 0.48
PTPN1 P18031 1/20 0.47
HDAC1 Q13547 1/20 0.46
HDAC8 Q9BY41 1/20 0.46
HDAC6 Q9UBN7 1/20 0.46
GPR132 Q9UNW8 1/20 0.45
MAOA P21397 2/20 0.45
NPC1 O15118 1/20 0.45
RAB9A P51151 1/20 0.45
SRD5A2 P31213 1/20 0.45
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
NR1H4 Q96RI1 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
SCHEMBL8545953 0.91 MAOB (0.51) MAOBNR4A2SMPD1PTPN1HDAC1
SCHEMBL7901060 0.90 NR4A2 (0.53) MAOBNR4A2SMPD1PTPN1HDAC1
SCHEMBL7901053 0.90 NR4A2 (0.53) MAOBNR4A2SMPD1PTPN1HDAC1
SCHEMBL8545812 0.89 MAOB (0.51) MAOBNR4A2SMPD1PTPN1GPR132
SCHEMBL8549880 0.89 MAOB (0.51) MAOBNR4A2SMPD1PTPN1GPR132
SCHEMBL8548524 0.88 MAOB (0.50) MAOBNR4A2SMPD1PTPN1GPR132
SCHEMBL8546173 0.87 MAOB (0.47) MAOBNR4A2SMPD1PTPN1HDAC1
SCHEMBL8543419 0.86 MAOB (0.55) MAOBNR4A2SMPD1PTPN1GPR132
SCHEMBL8551050 0.86 MAOB (0.48) MAOBNR4A2SMPD1PTPN1HDAC1
SCHEMBL8549185 0.86 NR4A2 (0.54) MAOBNR4A2SMPD1PTPN1GPR132

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