SCHEMBL7901062

SCHEMBL7901062

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

nearest known ligand 0.78

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
NR4A2 P43354 3/20 0.51
MRGPRX4 Q96LA9 1/20 0.51
MAOB P27338 1/20 0.49
HDAC1 Q13547 1/20 0.48
HDAC8 Q9BY41 1/20 0.48
HDAC6 Q9UBN7 1/20 0.48
SMPD1 P17405 1/20 0.47
SRD5A2 P31213 1/20 0.46
FFAR1 O14842 2/20 0.46
PTPN1 P18031 1/20 0.46
KMT2A Q03164 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
GPR132 Q9UNW8 1/20 0.44
BCL2L1 Q07817 2/20 0.44
MCL1 Q07820 2/20 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
SCHEMBL7901059 1.00 NR4A2 (0.51) NR4A2MRGPRX4MAOBHDAC1HDAC8
SCHEMBL8551050 0.90 MAOB (0.48) NR4A2MRGPRX4MAOBHDAC1HDAC8
SCHEMBL7901169 0.89 NR4A2 (0.58) NR4A2MRGPRX4MAOBSMPD1SRD5A2
SCHEMBL7907422 0.89 NR4A2 (0.58) NR4A2MRGPRX4MAOBSMPD1SRD5A2
SCHEMBL7907664 0.88 NR4A2 (0.56) NR4A2MAOBSMPD1SRD5A2FFAR1
SCHEMBL7907665 0.88 NR4A2 (0.56) NR4A2MAOBSMPD1SRD5A2FFAR1
SCHEMBL7900685 0.88 NR4A2 (0.59) NR4A2MAOBSMPD1SRD5A2FFAR1
SCHEMBL7900684 0.88 NR4A2 (0.59) NR4A2MAOBSMPD1SRD5A2FFAR1
SCHEMBL7909062 0.86 NR4A2 (0.54) NR4A2MRGPRX4MAOBHDAC1HDAC8
SCHEMBL7909059 0.86 NR4A2 (0.54) NR4A2MRGPRX4MAOBHDAC1HDAC8

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