SCHEMBL9738355

SCHEMBL9738355

CC(=O)ON(C)C=CC(=O)c1ccc(OCc2ccccc2)cc1

nearest known ligand 0.73

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAOB P27338 3/20 0.57
ABCG2 Q9UNQ0 1/20 0.56
NR4A1 P22736 1/20 0.52
NR4A2 P43354 1/20 0.52
NR4A3 Q92570 1/20 0.52
EGFR P00533 4/20 0.52
LTB4R Q15722 1/20 0.51
LTB4R2 Q9NPC1 1/20 0.51
ALDH1A1 P00352 2/20 0.50
SMN1; SMN2 Q16637 2/20 0.50
PARP10 Q53GL7 1/20 0.50
NPC1 O15118 1/20 0.50
POLB P06746 1/20 0.50
HSP90AA1 P07900 1/20 0.50
RAB9A P51151 1/20 0.50
ALOX5 P09917 1/20 0.49
HTT P42858 1/20 0.49
L3MBTL1 Q9Y468 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
SCHEMBL5906811 0.86 ALDH1A1 (0.68) MAOBABCG2NR4A1NR4A2NR4A3
SCHEMBL5906815 0.86 ALDH1A1 (0.68) MAOBABCG2NR4A1NR4A2NR4A3
SCHEMBL9741569 0.85 MAOB (0.62) MAOBABCG2NR4A1NR4A2NR4A3
SCHEMBL7028240 0.77 MAOB (0.68) MAOBABCG2NR4A1NR4A2NR4A3
SCHEMBL8614795 0.75 MAOB (0.76) MAOBABCG2NPC1RAB9A
SCHEMBL11326878 0.74 NR4A1 (0.70) MAOBABCG2NR4A1NR4A2NR4A3
SCHEMBL42302 0.74 MAOB (1.00) MAOBNR4A1NR4A2NR4A3ALDH1A1
SCHEMBL31326509 0.73 MAOB (0.65) MAOBNR4A1NR4A2NR4A3EGFR
SCHEMBL8200793 0.73 MAOB (0.69) MAOBNR4A1NR4A2NR4A3EGFR
SCHEMBL1443169 0.73 NR4A1 (0.68) MAOBABCG2NR4A1NR4A2NR4A3

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
US-5110831-A Antiinflammatory agents; leukotriene antagonists DU PONT MERCK PHARMACEUTICAL COMPANY (US) 1992-05-05 US disclosed