SCHEMBL7908609

SCHEMBL7908609

O=C(O)c1ccc(OCc2ccc(Cl)c(Cl)c2)cc1OCc1ccccc1

nearest known ligand 0.61

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MRGPRX4 Q96LA9 3/20 0.61
MAOB P27338 3/20 0.57
MDH2 P40926 1/20 0.56
MCL1 Q07820 1/20 0.55
MAPT P10636 1/20 0.54
PTPRC P08575 1/20 0.53
PTPN1 P18031 1/20 0.53
MEN1 O00255 2/20 0.52
KMT2A Q03164 2/20 0.52
NPC1 O15118 1/20 0.52
RAB9A P51151 1/20 0.52
SMN1; SMN2 Q16637 1/20 0.52
PTGER1 P34995 1/20 0.52
SLC26A4 O43511 1/20 0.51
ALDH1A1 P00352 1/20 0.50
FOLH1 Q04609 1/20 0.50
FFAR1 O14842 1/20 0.49
HRH3 Q9Y5N1 1/20 0.49

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
SCHEMBL7908820 0.88 NR4A2 (0.60) MRGPRX4MAOBMCL1MEN1KMT2A
SCHEMBL7907913 0.88 NR4A2 (0.60) MRGPRX4MAOBMCL1MEN1KMT2A
SCHEMBL7909052 0.88 MRGPRX4 (0.53) MRGPRX4MAOBMAPTMEN1KMT2A
SCHEMBL4756552 0.88 MAOB (0.63) MAOBMDH2MCL1MEN1KMT2A
SCHEMBL4739739 0.85 PTPRC (0.59) MRGPRX4MAOBMAPTPTPRCPTPN1
SCHEMBL7901056 0.84 MRGPRX4 (0.61) MRGPRX4MAOBMCL1MAPTNPC1
SCHEMBL7914707 0.84 MAOA (0.63) MRGPRX4MAOBMCL1KMT2ASMN1; SMN2
SCHEMBL7908630 0.83 NR4A2 (0.60) MAOBMCL1MAPTKMT2AFOLH1
SCHEMBL7900610 0.83 RAB9A (0.58) MRGPRX4MAOBMCL1NPC1RAB9A
SCHEMBL21924233 0.82 MAOB (0.60) MAOBMDH2MCL1MEN1KMT2A

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