SCHEMBL4435910

SCHEMBL4435910

CCCC(OC(N)=O)c1ccc(OCc2ccccc2)cc1

nearest known ligand 0.58

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 3/20 0.58
PARP10 Q53GL7 1/20 0.52
MAOB P27338 1/20 0.49
FFAR1 O14842 2/20 0.48
LMNA P02545 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
NR4A1 P22736 1/20 0.48
NR4A2 P43354 1/20 0.48
NR4A3 Q92570 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
SCHEMBL1835163 0.83 ADRB1 (0.51)
SCHEMBL27576745 0.78 LMNA (0.66) ALOX5FFAR1LMNAL3MBTL1
SCHEMBL4310328 0.77 ALOX5 (0.45) ALOX5PARP10FFAR1L3MBTL1NR4A1
SCHEMBL2116330 0.76 ADRB1 (0.76)
SCHEMBL28857417 0.75 ALOX5 (0.53) ALOX5MAOBFFAR1LMNAL3MBTL1
SCHEMBL4435918 0.75 ALOX5 (0.53) ALOX5MAOBFFAR1LMNAL3MBTL1
SCHEMBL2170633 0.75 ALOX5 (0.67) ALOX5PARP10MAOBNR4A1NR4A2
SCHEMBL25108838 0.75 BCHE (0.57) ALOX5MAOBLMNAL3MBTL1
SCHEMBL585575 0.75 ADRB1 (0.49)
SCHEMBL8933773 0.74 ALOX5 (1.00) ALOX5PARP10

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