SCHEMBL7907665

SCHEMBL7907665

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

nearest known ligand 0.83

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
NR4A2 P43354 3/20 0.56
MAOB P27338 3/20 0.52
MAOA P21397 2/20 0.52
RXRA P19793 1/20 0.51
RXRB P28702 1/20 0.51
RXRG P48443 1/20 0.51
NPC1 O15118 1/20 0.49
CYP1A2 P05177 1/20 0.49
CYP2D6 P10635 1/20 0.49
CYP2C9 P11712 1/20 0.49
CYP2C19 P33261 1/20 0.49
RAB9A P51151 1/20 0.49
KMT2A Q03164 2/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
SMPD1 P17405 1/20 0.48
SRD5A2 P31213 1/20 0.47
MEN1 O00255 1/20 0.47
FFAR1 O14842 1/20 0.46
PTPN1 P18031 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
SCHEMBL7907664 1.00 NR4A2 (0.56) NR4A2MAOBMAOARXRARXRB
SCHEMBL7900684 0.91 NR4A2 (0.59) NR4A2MAOBKMT2ASMN1; SMN2SMPD1
SCHEMBL7900685 0.91 NR4A2 (0.59) NR4A2MAOBKMT2ASMN1; SMN2SMPD1
SCHEMBL7901169 0.90 NR4A2 (0.58) NR4A2MAOBMAOAKMT2ASMN1; SMN2
SCHEMBL7907422 0.90 NR4A2 (0.58) NR4A2MAOBMAOAKMT2ASMN1; SMN2
SCHEMBL8546084 0.90 NR4A2 (0.52) NR4A2MAOBMAOARXRARXRB
SCHEMBL7901059 0.88 NR4A2 (0.51) NR4A2MAOBKMT2ASMN1; SMN2SMPD1
SCHEMBL7901062 0.88 NR4A2 (0.51) NR4A2MAOBKMT2ASMN1; SMN2SMPD1
SCHEMBL7901058 0.87 MAOB (0.53) NR4A2MAOBKMT2ASMN1; SMN2SMPD1
SCHEMBL7901063 0.87 MAOB (0.53) NR4A2MAOBKMT2ASMN1; SMN2SMPD1

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