SCHEMBL7914070

SCHEMBL7914070

O=C(O)c1ccc(OCc2ccccc2)cc1OCc1ccncc1

nearest known ligand 0.65

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAOB P27338 1/20 0.55
MCL1 Q07820 2/20 0.52
NR4A2 P43354 2/20 0.51
NR4A1 P22736 1/20 0.51
NR4A3 Q92570 1/20 0.51
P4HTM Q9NXG6 1/20 0.50
SLC16A3 O15427 1/20 0.50
FOLH1 Q04609 1/20 0.50
MEN1 O00255 1/20 0.50
KMT2A Q03164 1/20 0.50
NOX1 Q9Y5S8 1/20 0.50
GPR132 Q9UNW8 1/20 0.49
ALDH1A1 P00352 1/20 0.49
HPGD P15428 1/20 0.49
MDH2 P40926 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
ABCB1 P08183 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
SCHEMBL4756552 0.91 MAOB (0.63) MAOBMCL1NR4A2NR4A1NR4A3
SCHEMBL7909189 0.87 MAOB (0.53) MAOBMEN1KMT2ANOX1GPR132
SCHEMBL21924233 0.85 MAOB (0.60) MAOBMCL1NR4A2NR4A1NR4A3
SCHEMBL7900845 0.85 NR4A2 (0.51) MAOBMCL1NR4A2NR4A1NR4A3
SCHEMBL1316774 0.85 MCL1 (0.64) MCL1FOLH1NOX1ALDH1A1
SCHEMBL7164758 0.84 ALDH1A1 (0.55) FOLH1KMT2AALDH1A1ABCB1
SCHEMBL7908820 0.83 NR4A2 (0.60) MAOBMCL1NR4A2NR4A1NR4A3
SCHEMBL7900610 0.83 RAB9A (0.58) MAOBMCL1FOLH1SMN1; SMN2ABCB1
SCHEMBL7907913 0.83 NR4A2 (0.60) MAOBMCL1NR4A2NR4A1NR4A3
SCHEMBL7908630 0.83 NR4A2 (0.60) MAOBMCL1NR4A2SLC16A3FOLH1

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