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SCHEMBL8549883

SCHEMBL8549883

COc1ccccc1C(CC(C)C(=O)O)C(=O)c1cccc(OCc2ccccc2)c1

nearest known ligand 0.54

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ MAOB P27338 3/20 0.53
▸ NR4A2 P43354 3/20 0.52
▸ SMPD1 P17405 2/20 0.48
▸ GPR132 Q9UNW8 2/20 0.47
▸ MRGPRX4 Q96LA9 2/20 0.47
▸ SRD5A2 P31213 1/20 0.47
▸ PTPN1 P18031 1/20 0.46
▸ KMT2A Q03164 1/20 0.45
▸ ALDH1A1 P00352 1/20 0.45
▸ CTSK P43235 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
SCHEMBL8545815 0.88 MAOB (0.54) MAOBNR4A2SMPD1GPR132SRD5A2
SCHEMBL8548526 0.87 MAOB (0.53) MAOBNR4A2SMPD1GPR132SRD5A2
SCHEMBL8549981 0.86 MRGPRX4 (0.52) MAOBNR4A2SMPD1GPR132MRGPRX4
SCHEMBL8547558 0.86 SMPD1 (0.52) MAOBNR4A2SMPD1MRGPRX4PTPN1
SCHEMBL7908127 0.85 MAOB (0.59) MAOBNR4A2SMPD1GPR132SRD5A2
SCHEMBL7901108 0.85 MAOB (0.53) MAOBNR4A2SMPD1GPR132MRGPRX4
SCHEMBL7901112 0.85 MAOB (0.53) MAOBNR4A2SMPD1GPR132MRGPRX4
SCHEMBL8546267 0.85 MAOB (0.53) MAOBNR4A2SMPD1GPR132MRGPRX4
SCHEMBL8549880 0.83 MAOB (0.51) MAOBNR4A2SMPD1GPR132MRGPRX4
SCHEMBL8549711 0.83 MAOB (0.51) MAOBNR4A2SMPD1GPR132SRD5A2

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