SCHEMBL8546267

SCHEMBL8546267

COc1cccc(C(CC(C)C(=O)O)C(=O)c2cccc(OCc3ccccc3)c2)c1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 2/20 0.53
MRGPRX4 Q96LA9 2/20 0.53
NR4A2 P43354 1/20 0.52
SMN1; SMN2 Q16637 2/20 0.48
KMT2A Q03164 1/20 0.48
SMPD1 P17405 2/20 0.48
GPR132 Q9UNW8 4/20 0.48
ALOX5 P09917 1/20 0.47
SRD5A2 P31213 1/20 0.47
PTPN1 P18031 1/20 0.46
TP53 P04637 1/20 0.46
PKM P14618 1/20 0.46
NFKB1 P19838 1/20 0.46
RAB9A P51151 1/20 0.46
NFKB2 Q00653 1/20 0.46
RELA Q04206 1/20 0.46
RXFP1 Q9HBX9 1/20 0.46
GPR139 Q6DWJ6 1/20 0.45
HTR1A P08908 1/20 0.45
ADRA2A P08913 1/20 0.45

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
SCHEMBL7908127 0.92 MAOB (0.59) MAOBNR4A2SMN1; SMN2KMT2ASMPD1
SCHEMBL8551283 0.86 MAOB (0.55) MAOBMRGPRX4NR4A2KMT2ASMPD1
SCHEMBL7901063 0.85 MAOB (0.53) MAOBMRGPRX4NR4A2SMN1; SMN2KMT2A
SCHEMBL8549883 0.85 MAOB (0.53) MAOBMRGPRX4NR4A2KMT2ASMPD1
SCHEMBL7901058 0.85 MAOB (0.53) MAOBMRGPRX4NR4A2SMN1; SMN2KMT2A
SCHEMBL8550373 0.85 MAOB (0.55) MAOBMRGPRX4NR4A2SMN1; SMN2KMT2A
SCHEMBL8549981 0.84 MRGPRX4 (0.52) MAOBMRGPRX4NR4A2SMN1; SMN2SMPD1
SCHEMBL8546264 0.83 MAOB (0.51) MAOBMRGPRX4NR4A2SMN1; SMN2KMT2A
SCHEMBL8546324 0.82 PARP14 (0.44) MAOBNR4A2KMT2AGPR132RAB9A
SCHEMBL8545815 0.82 MAOB (0.54) MAOBNR4A2KMT2ASMPD1GPR132

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