SCHEMBL7908047

SCHEMBL7908047

O=C(O)c1ccc(OCc2ccccc2)cc1OCCCc1ccccc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 1/20 0.55
LTB4R Q15722 1/20 0.54
LTB4R2 Q9NPC1 1/20 0.54
LTA4H P09960 1/20 0.52
EPHX2 P34913 1/20 0.52
FFAR1 O14842 4/20 0.51
NR4A2 P43354 2/20 0.51
NR4A1 P22736 1/20 0.51
NR4A3 Q92570 1/20 0.51
FFAR4 Q5NUL3 1/20 0.51
MCL1 Q07820 2/20 0.51
SLC16A3 O15427 1/20 0.50
MEN1 O00255 1/20 0.50
KMT2A Q03164 1/20 0.50
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
CTSV O60911 1/20 0.48
CTSL P07711 1/20 0.48

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
SCHEMBL7901154 0.94 FFAR1 (0.54) MAOBLTB4RLTB4R2LTA4HEPHX2
SCHEMBL7908442 0.93 MAOB (0.56) MAOBLTB4RLTB4R2FFAR1NR4A2
SCHEMBL21924233 0.91 MAOB (0.60) MAOBLTB4RLTB4R2NR4A2NR4A1
SCHEMBL7909000 0.89 MAOB (0.58) MAOBLTB4RLTB4R2NR4A2NR4A1
SCHEMBL4756552 0.88 MAOB (0.63) MAOBLTB4RLTB4R2NR4A2NR4A1
SCHEMBL21924280 0.87 ALDH1A1 (0.60) MAOBLTB4RLTB4R2NR4A2NR4A1
SCHEMBL7908069 0.87 FFAR1 (0.55) MAOBLTB4RLTB4R2FFAR1NR4A2
SCHEMBL7914107 0.87 MAOB (0.53) MAOBLTB4RLTB4R2LTA4HEPHX2
SCHEMBL6042635 0.86 MEN1 (0.57) MAOBLTB4RLTB4R2NR4A2NR4A1
SCHEMBL14021709 0.84 MAOB (0.53) MAOBLTB4RLTB4R2NR4A2NR4A1

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 9 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-RE40558-E1 Therapeutic uses of di-aryl acid derivatives SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2008-10-28 US disclosed
US-RE40558-E1 Therapeutic uses of di-aryl acid derivatives SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2008-10-28 US disclosed
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