SCHEMBL7909009

SCHEMBL7909009

O=C(O)COc1ccc(OCc2ccccc2)cc1OCc1ccccc1

nearest known ligand 0.59

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PPARD Q03181 6/20 0.59
PPARG P37231 2/20 0.59
FFAR1 O14842 8/20 0.56
ELANE P08246 3/20 0.54
F2 P00734 1/20 0.54
LTB4R Q15722 1/20 0.54
LTB4R2 Q9NPC1 1/20 0.54
PTPN1 P18031 1/20 0.52
NR4A2 P43354 2/20 0.51
PTPN7 P35236 1/20 0.51
NR4A1 P22736 1/20 0.51
NR4A3 Q92570 1/20 0.51
FFAR4 Q5NUL3 1/20 0.51
MAOB P27338 1/20 0.51

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
SCHEMBL9811686 0.90 SMN1; SMN2 (0.60) PPARDPPARGFFAR1ELANE
SCHEMBL7908824 0.88 PARP10 (0.54) NR4A2NR4A1NR4A3MAOB
SCHEMBL4364373 0.87 NR4A2 (0.55) PTPN1NR4A2NR4A1NR4A3MAOB
SCHEMBL13412635 0.87 ALOX5 (0.63) MAOB
SCHEMBL9797681 0.87 SMN1; SMN2 (0.60) PPARDPPARGELANE
SCHEMBL29184830 0.84 MAOB (0.70) PPARDPPARGFFAR1MAOB
SCHEMBL7914606 0.84 NPC1 (0.56) PPARDPPARGFFAR1MAOB
SCHEMBL5883010 0.83 PTGDR2 (0.60) PPARDPPARGFFAR1MAOB
SCHEMBL3920660 0.82 PTPN7 (0.53) PPARDPPARGFFAR1ELANEF2
SCHEMBL1115002 0.82 PPARG (0.71) PPARDPPARGFFAR1NR4A2PTPN7

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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