SCHEMBL7907422

SCHEMBL7907422

O=C(O)CC[C@H](C(=O)c1cccc(OCc2ccccc2)c1)c1ccc(Cl)cc1

nearest known ligand 0.85

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
NR4A2 P43354 3/20 0.58
MAOB P27338 3/20 0.54
MAOA P21397 2/20 0.54
KMT2A Q03164 2/20 0.53
MEN1 O00255 1/20 0.53
SMPD1 P17405 2/20 0.49
MRGPRX4 Q96LA9 1/20 0.49
SRD5A2 P31213 1/20 0.48
FFAR1 O14842 1/20 0.47
PTPN1 P18031 1/20 0.47
HPD P32754 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.46

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
SCHEMBL7901169 1.00 NR4A2 (0.58) NR4A2MAOBMAOAKMT2AMEN1
SCHEMBL7900685 0.92 NR4A2 (0.59) NR4A2MAOBKMT2ASMPD1SRD5A2
SCHEMBL7900684 0.92 NR4A2 (0.59) NR4A2MAOBKMT2ASMPD1SRD5A2
SCHEMBL7907664 0.90 NR4A2 (0.56) NR4A2MAOBMAOAKMT2AMEN1
SCHEMBL7907665 0.90 NR4A2 (0.56) NR4A2MAOBMAOAKMT2AMEN1
SCHEMBL8549185 0.90 NR4A2 (0.54) NR4A2MAOBMAOAKMT2AMEN1
SCHEMBL7901059 0.89 NR4A2 (0.51) NR4A2MAOBKMT2ASMPD1MRGPRX4
SCHEMBL7901062 0.89 NR4A2 (0.51) NR4A2MAOBKMT2ASMPD1MRGPRX4
SCHEMBL7900922 0.89 MAOB (0.55) NR4A2MAOBKMT2ASMPD1SRD5A2
SCHEMBL7900924 0.89 MAOB (0.55) NR4A2MAOBKMT2ASMPD1SRD5A2

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 7 patents. 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
EP-0728128-A1 SUBSTITUTED PHENYL COMPOUNDS RHONE-POULENC RORER LIMITED (GB) 1996-08-28 EP claimed
WO-1995013262-A1 SUBSTITUTED PHENYL COMPOUNDS RHONE-POULENC RORER LIMITED (GB) 1995-05-18 WO claimed
US-6211234-B1 BENZONITRILE COMPOUNDS WITH ETHER AND SULFIDE GROUPS WITH CARBOXY ACID RHONE-POULENC RORER LIMITED (GB) 2001-04-03 US disclosed
EP-0728128-B1 SUBSTITUTED PHENYL COMPOUNDS RHONE POULENC RORER LTD (GB) 1998-09-16 EP disclosed
EP-0728128-A1 SUBSTITUTED PHENYL COMPOUNDS RHONE-POULENC RORER LIMITED (GB) 1996-08-28 EP disclosed
WO-1995013262-A1 SUBSTITUTED PHENYL COMPOUNDS RHONE-POULENC RORER LIMITED (GB) 1995-05-18 WO disclosed