SCHEMBL8549880

SCHEMBL8549880

COC(=O)CCC(C(=O)c1cccc(OCc2ccccc2)c1)c1ccccc1OC

nearest known ligand 0.61

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MAOB P27338 2/20 0.51
NR4A2 P43354 1/20 0.50
SMPD1 P17405 2/20 0.49
PTPN1 P18031 1/20 0.47
LTA4H P09960 1/20 0.46
GPR132 Q9UNW8 1/20 0.46
MRGPRX4 Q96LA9 2/20 0.46
SRD5A2 P31213 1/20 0.46
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45
NR1H4 Q96RI1 1/20 0.44

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
SCHEMBL7901108 0.92 MAOB (0.53) MAOBNR4A2SMPD1PTPN1LTA4H
SCHEMBL7901112 0.92 MAOB (0.53) MAOBNR4A2SMPD1PTPN1LTA4H
SCHEMBL8545812 0.90 MAOB (0.51) MAOBNR4A2SMPD1PTPN1LTA4H
SCHEMBL8548524 0.89 MAOB (0.50) MAOBNR4A2SMPD1PTPN1LTA4H
SCHEMBL8550294 0.89 MAOB (0.50) MAOBNR4A2SMPD1PTPN1GPR132
SCHEMBL8543419 0.87 MAOB (0.55) MAOBNR4A2SMPD1PTPN1LTA4H
SCHEMBL8546264 0.86 MAOB (0.51) MAOBNR4A2SMPD1PTPN1GPR132
SCHEMBL8547554 0.85 SMPD1 (0.53) MAOBNR4A2SMPD1PTPN1MRGPRX4
SCHEMBL8549708 0.85 MAOB (0.48) MAOBNR4A2SMPD1PTPN1LTA4H
SCHEMBL8549978 0.85 MRGPRX4 (0.48) MAOBNR4A2SMPD1MRGPRX4MEN1

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