SCHEMBL4435397

SCHEMBL4435397

CC(Oc1ccc(OCc2ccccc2)cc1)(Oc1ccc(OCc2ccc(Cl)cc2)cc1)C(N)=O

nearest known ligand 0.55

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
NR4A2 P43354 1/20 0.55
PPARG P37231 5/20 0.54
MAOB P27338 3/20 0.53
MAOA P21397 1/20 0.53
PPARA Q07869 3/20 0.53
PARP10 Q53GL7 1/20 0.52
PPARD Q03181 1/20 0.51
MRGPRX4 Q96LA9 1/20 0.50
BCHE P06276 1/20 0.48
ALOX5 P09917 1/20 0.48
FFAR1 O14842 1/20 0.48
FFAR4 Q5NUL3 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
SCHEMBL4425860 0.84 MAOB (0.58) NR4A2PPARGMAOBMAOAPPARA
SCHEMBL21991803 0.80 PPARA (0.73) NR4A2PPARGMAOBMAOAPPARA
SCHEMBL11734207 0.80 PPARA (0.73) NR4A2PPARGMAOBMAOAPPARA
SCHEMBL11601217 0.80 PPARG (0.57) NR4A2PPARGMAOBMAOAPPARA
SCHEMBL28510234 0.77 MAOB (0.57) NR4A2MAOBMAOAPARP10
SCHEMBL21991296 0.77 NR4A2 (0.58) NR4A2PPARGMAOBMAOAPPARA
SCHEMBL197223 0.77 LMNA (0.67) NR4A2MAOBMAOAMRGPRX4BCHE
SCHEMBL5389836 0.77 PPARG (0.50) NR4A2PPARGMAOBMAOAPPARA
SCHEMBL5208740 0.76 PPARA (0.62) NR4A2PPARGMAOBMAOAPPARA
SCHEMBL27309675 0.76 PARP10 (0.57) NR4A2PPARGMAOBMAOAPARP10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1761480-B1 MAO-B INHIBITORS HOFFMANN LA ROCHE (CH) 2009-02-18 EP disclosed