SCHEMBL7908069

SCHEMBL7908069

O=C(O)c1ccc(OCCc2ccccc2)cc1OCc1ccccc1

nearest known ligand 0.67

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 4/20 0.55
SLC16A3 O15427 2/20 0.55
MCL1 Q07820 3/20 0.54
BCL2A1 Q16548 1/20 0.54
MAOB P27338 1/20 0.52
LTB4R Q15722 1/20 0.52
LTB4R2 Q9NPC1 1/20 0.52
FOLH1 Q04609 1/20 0.51
MET P08581 1/20 0.50
NR4A2 P43354 2/20 0.49
FFAR4 Q5NUL3 1/20 0.49
NR4A1 P22736 1/20 0.49
NR4A3 Q92570 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
SCHEMBL7908442 0.94 MAOB (0.56) FFAR1SLC16A3MCL1BCL2A1MAOB
SCHEMBL7901154 0.93 FFAR1 (0.54) FFAR1SLC16A3MCL1MAOBLTB4R
SCHEMBL4756552 0.90 MAOB (0.63) SLC16A3MCL1MAOBLTB4RLTB4R2
SCHEMBL7908047 0.87 MAOB (0.55) FFAR1SLC16A3MCL1MAOBLTB4R
SCHEMBL29032440 0.87 SLC16A3 (0.54) FFAR1SLC16A3MCL1BCL2A1
SCHEMBL22438599 0.87 PTPN11 (0.55) MCL1MAOBLTB4RLTB4R2FOLH1
SCHEMBL21924233 0.87 MAOB (0.60) SLC16A3MCL1MAOBLTB4RLTB4R2
SCHEMBL7907433 0.87 FFAR4 (0.57) FFAR1MCL1BCL2A1MAOBMET
SCHEMBL8067260 0.85 MAOB (0.58) FFAR1SLC16A3MCL1BCL2A1MAOB
SCHEMBL7908630 0.84 NR4A2 (0.60) SLC16A3MCL1MAOBFOLH1NR4A2

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