SCHEMBL7914600

SCHEMBL7914600

CC(=O)c1ccc(OCc2cncnc2)cc1O

nearest known ligand 0.68

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MAOB P27338 14/20 0.68
MAOA P21397 8/20 0.64
MAPT P10636 1/20 0.56
HTT P42858 1/20 0.56
L3MBTL1 Q9Y468 1/20 0.56
ALDH1A1 P00352 1/20 0.54
CYP3A4 P08684 1/20 0.54
HPGD P15428 1/20 0.54
MAPK1 P28482 1/20 0.54
PPARD Q03181 1/20 0.52

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
SCHEMBL7900710 0.85 MAOB (0.71) MAOBMAOAMAPTHTTL3MBTL1
SCHEMBL29945833 0.81 MAOB (1.00) MAOBMAOAMAPTHTTL3MBTL1
SCHEMBL567416 0.81 MAOB (1.00) MAOBMAOAMAPTHTTL3MBTL1
SCHEMBL3540404 0.79 MAOB (0.76) MAOBMAOAMAPTHTTL3MBTL1
SCHEMBL31166914 0.79 MAOB (0.76) MAOBMAOAMAPTHTTL3MBTL1
SCHEMBL6763954 0.78 MAOB (1.00) MAOBMAOAMAPTHTTL3MBTL1
SCHEMBL429049 0.77 MAOB (0.67) MAOBMAOAALDH1A1CYP3A4HPGD
SCHEMBL7914316 0.76 MAOB (0.66) MAOBMAOAMAPTHTTL3MBTL1
SCHEMBL9062621 0.75 MAOB (0.69) MAOBMAOAMAPTHTTL3MBTL1
SCHEMBL10995159 0.75 MAOB (0.72) MAOBMAOAMAPTHTTL3MBTL1

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