SCHEMBL8545812

SCHEMBL8545812

COC(=O)CCC(C(=O)c1cccc(OCc2ccccc2)c1)c1ccccc1C

nearest known ligand 0.72

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MAOB P27338 1/20 0.51
NR4A2 P43354 1/20 0.50
SMPD1 P17405 1/20 0.49
PTPN1 P18031 1/20 0.47
GPR132 Q9UNW8 1/20 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
LTA4H P09960 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
SCHEMBL8549978 0.93 MRGPRX4 (0.48) MAOBNR4A2SMPD1MEN1KMT2A
SCHEMBL8547554 0.93 SMPD1 (0.53) MAOBNR4A2SMPD1PTPN1
SCHEMBL8549782 0.92 MAOB (0.53) MAOBNR4A2SMPD1PTPN1MEN1
SCHEMBL8545782 0.92 GPR132 (0.48) MAOBNR4A2SMPD1GPR132
SCHEMBL8546391 0.91 MAOB (0.42) MAOBNR4A2SMPD1
SCHEMBL8546792 0.91 MAOB (0.53) MAOBNR4A2
SCHEMBL8549927 0.91
SCHEMBL8549708 0.91 MAOB (0.48) MAOBNR4A2SMPD1PTPN1GPR132
SCHEMBL7900921 0.91 MAOB (0.54) MAOBNR4A2SMPD1PTPN1SRD5A2
SCHEMBL7900916 0.91 MAOB (0.54) MAOBNR4A2SMPD1PTPN1SRD5A2

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