SCHEMBL6437547

SCHEMBL6437547

O=C(O)CC(=O)Nc1ccc(OCc2ccc(C(F)(F)F)cc2)cc1

nearest known ligand 0.58

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAOB P27338 5/20 0.58
LTA4H P09960 1/20 0.56
PPARA Q07869 2/20 0.55
PPARD Q03181 1/20 0.55
AR P10275 1/20 0.53
MDH1 P40925 1/20 0.53
MDH2 P40926 1/20 0.53
FFAR1 O14842 3/20 0.53
PPARG P37231 1/20 0.53
NPC1 O15118 2/20 0.52
RAB9A P51151 2/20 0.52
SMN1; SMN2 Q16637 2/20 0.52
L3MBTL1 Q9Y468 1/20 0.52
ALDH1A1 P00352 1/20 0.52
HRH3 Q9Y5N1 1/20 0.52
MRGPRX4 Q96LA9 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
SCHEMBL4498749 0.88 MAOB (0.64) MAOBLTA4HPPARAARMDH1
SCHEMBL4337603 0.87 MAOB (0.59) MAOBLTA4HPPARAMDH1MDH2
SCHEMBL3498978 0.80 MAOB (0.67) MAOBPPARAPPARDFFAR1PPARG
SCHEMBL23605980 0.80 PPARA (0.75) MAOBPPARAPPARDFFAR1PPARG
SCHEMBL27683562 0.78 MAOB (0.60) MAOBPPARAPPARDARHRH3
SCHEMBL21991284 0.78 MAOB (0.63) MAOBPPARAPPARDFFAR1PPARG
SCHEMBL6525591 0.77 MAOB (0.76) MAOBPPARANPC1RAB9ASMN1; SMN2
SCHEMBL21991486 0.77 MAOB (0.67) MAOBPPARAPPARDFFAR1PPARG
SCHEMBL19951231 0.77 MAOB (0.76) MAOBPPARANPC1RAB9ASMN1; SMN2
SCHEMBL14086739 0.77 PLAAT3 (0.59) LTA4HARFFAR1NPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1511718-A1 N-ACYLAMINOBENZENE DERVATIVES AS SELECTIVE MONOAMINE OXIDASE B INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2005-03-09 EP disclosed
WO-2003099763-A1 N-ACYLAMINOBENZENE DERVATIVES AS SELECTIVE MONOAMINE OXIDASE B INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2003-12-04 WO disclosed