SCHEMBL8548526

SCHEMBL8548526

CCc1ccccc1C(CC(C)C(=O)O)C(=O)c1cccc(OCc2ccccc2)c1

nearest known ligand 0.54

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MAOB P27338 1/20 0.53
NR4A2 P43354 3/20 0.52
SMPD1 P17405 1/20 0.48
GPR132 Q9UNW8 6/20 0.47
SRD5A2 P31213 1/20 0.47
PTPN1 P18031 1/20 0.46
CYSLTR2 Q9NS75 1/20 0.46
CYSLTR1 Q9Y271 1/20 0.46
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
NR1H4 Q96RI1 1/20 0.43
NR4A1 P22736 1/20 0.43
NR4A3 Q92570 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
SCHEMBL8545815 0.88 MAOB (0.54) MAOBNR4A2SMPD1GPR132SRD5A2
SCHEMBL8549883 0.87 MAOB (0.53) MAOBNR4A2SMPD1GPR132SRD5A2
SCHEMBL7908127 0.85 MAOB (0.59) MAOBNR4A2SMPD1GPR132SRD5A2
SCHEMBL7900981 0.85 MAOB (0.53) MAOBNR4A2SMPD1GPR132SRD5A2
SCHEMBL7900987 0.85 MAOB (0.53) MAOBNR4A2SMPD1GPR132SRD5A2
SCHEMBL8549711 0.83 MAOB (0.51) MAOBNR4A2SMPD1GPR132SRD5A2
SCHEMBL8548524 0.82 MAOB (0.50) MAOBNR4A2SMPD1GPR132SRD5A2
SCHEMBL8551283 0.82 MAOB (0.55) MAOBNR4A2SMPD1GPR132SRD5A2
SCHEMBL8545786 0.82 GPR132 (0.52) MAOBNR4A2GPR132
SCHEMBL8549981 0.82 MRGPRX4 (0.52) MAOBNR4A2SMPD1GPR132CYSLTR2

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