SCHEMBL7914285

SCHEMBL7914285

COc1ccccc1COc1cccc(C(=O)Cc2ccccc2)c1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.61
MAOB P27338 1/20 0.53
NR4A2 P43354 2/20 0.52
PTPN1 P18031 1/20 0.52
BCHE P06276 1/20 0.52
ABCB1 P08183 2/20 0.51
MRGPRX4 Q96LA9 2/20 0.50
NPC1 O15118 2/20 0.50
RAB9A P51151 2/20 0.50
PARP14 Q460N5 1/20 0.50
PARP10 Q53GL7 1/20 0.50
GAA P10253 1/20 0.50
HPGD P15428 1/20 0.50
SPHK2 Q9NRA0 1/20 0.48
SPHK1 Q9NYA1 1/20 0.48
ALKBH1 Q13686 1/20 0.48
MEN1 O00255 2/20 0.48
KMT2A Q03164 2/20 0.48
LMNA P02545 1/20 0.48
MAPK1 P28482 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
SCHEMBL6963910 0.86 L3MBTL1 (0.81) L3MBTL1MAOBNR4A2PTPN1BCHE
SCHEMBL6963905 0.86 L3MBTL1 (0.73) L3MBTL1BCHEABCB1NPC1RAB9A
SCHEMBL7901142 0.83 NR4A2 (0.74) MAOBNR4A2PTPN1MRGPRX4MEN1
SCHEMBL1515775 0.81 MEN1 (0.61) L3MBTL1MRGPRX4NPC1RAB9AMEN1
SCHEMBL9455078 0.78 ABCB1 (0.63) L3MBTL1MAOBBCHEABCB1PARP14
SCHEMBL7914560 0.78 MAOB (0.63) L3MBTL1MAOBNR4A2PTPN1MEN1
SCHEMBL6857028 0.77 L3MBTL1 (0.62) L3MBTL1BCHEABCB1NPC1RAB9A
SCHEMBL8800682 0.76 NR4A2 (0.55) L3MBTL1MAOBNR4A2PTPN1MRGPRX4
SCHEMBL13462916 0.76 ABCB1 (0.64) MAOBBCHEABCB1PARP14PARP10
SCHEMBL11639201 0.75 ERCC5 (0.62) L3MBTL1MAOBNR4A2PTPN1NPC1

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