SCHEMBL7901154

SCHEMBL7901154

O=C(O)c1ccc(OCCCc2ccccc2)cc1OCc1ccccc1

nearest known ligand 0.65

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 5/20 0.54
MCL1 Q07820 2/20 0.52
MET P08581 2/20 0.52
MAOB P27338 2/20 0.51
LTB4R Q15722 1/20 0.51
LTB4R2 Q9NPC1 1/20 0.51
FOLH1 Q04609 1/20 0.50
PTGER1 P34995 1/20 0.50
PTGER4 P35408 1/20 0.50
PTGER3 P43115 1/20 0.50
PTGER2 P43116 1/20 0.50
MAOA P21397 1/20 0.49
LTA4H P09960 1/20 0.49
EPHX2 P34913 1/20 0.49
SLC16A3 O15427 1/20 0.48
NR4A2 P43354 2/20 0.48
FFAR4 Q5NUL3 1/20 0.48
NR4A1 P22736 1/20 0.48
NR4A3 Q92570 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
SCHEMBL7908047 0.94 MAOB (0.55) FFAR1MCL1MAOBLTB4RLTB4R2
SCHEMBL7908069 0.93 FFAR1 (0.55) FFAR1MCL1METMAOBLTB4R
SCHEMBL22438599 0.89 PTPN11 (0.55) MCL1METMAOBLTB4RLTB4R2
SCHEMBL4756552 0.88 MAOB (0.63) MCL1MAOBLTB4RLTB4R2FOLH1
SCHEMBL7908442 0.87 MAOB (0.56) FFAR1MCL1MAOBLTB4RLTB4R2
SCHEMBL7908891 0.87 FFAR4 (0.56) FFAR1METMAOBFFAR4
SCHEMBL312285 0.85 FFAR1 (0.59) FFAR1MCL1MAOBMAOASLC16A3
SCHEMBL21924233 0.85 MAOB (0.60) MCL1MAOBLTB4RLTB4R2FOLH1
SCHEMBL29706545 0.85 FFAR1 (0.59) FFAR1MCL1MAOBMAOASLC16A3
SCHEMBL22438896 0.85 PTPN11 (0.62) MCL1MAOB

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