SCHEMBL7900710

SCHEMBL7900710

CC(=O)c1ccc(OCc2cccnc2)cc1O

nearest known ligand 0.71

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MAOB P27338 10/20 0.71
MAOA P21397 7/20 0.63
MAPT P10636 1/20 0.59
HTT P42858 1/20 0.59
L3MBTL1 Q9Y468 1/20 0.59
GPR132 Q9UNW8 1/20 0.50
ALDH1A1 P00352 1/20 0.50
CYP3A4 P08684 1/20 0.50
HPGD P15428 1/20 0.50
MAPK1 P28482 1/20 0.50
LMNA P02545 1/20 0.49
RECQL P46063 1/20 0.49
ACACB O00763 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
SCHEMBL6776817 0.87 MAOB (0.53) MAOBMAOAGPR132ALDH1A1HPGD
SCHEMBL7914600 0.85 MAOB (0.68) MAOBMAOAMAPTHTTL3MBTL1
SCHEMBL16504110 0.85 MAOB (0.50) MAOBMAOAGPR132LMNARECQL
SCHEMBL7914755 0.84 MAOB (0.55) MAOBHTTGPR132ALDH1A1HPGD
SCHEMBL567416 0.83 MAOB (1.00) MAOBMAOAMAPTHTTL3MBTL1
SCHEMBL29945833 0.83 MAOB (1.00) MAOBMAOAMAPTHTTL3MBTL1
SCHEMBL6955979 0.81 MAOB (0.68) MAOBMAOAHTTL3MBTL1GPR132
SCHEMBL12111212 0.78 PARP15 (0.52) GPR132CYP3A4LMNARECQL
SCHEMBL4684243 0.78 PARP15 (0.66) L3MBTL1GPR132ALDH1A1CYP3A4RECQL
SCHEMBL8131362 0.77 POLB (0.58) MAOAMAPTGPR132MAPK1LMNA

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