SCHEMBL4400719

SCHEMBL4400719

CC(C)(C)OC(=O)CNCCN[C]=O

nearest known ligand 0.37

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAOA P21397 1/20 0.37
MAOB P27338 1/20 0.37
CA2 P00918 2/20 0.33
CA12 O43570 1/20 0.33
CA14 Q9ULX7 1/20 0.33
TDP1 Q9NUW8 1/20 0.32
PTPRC P08575 2/20 0.31
CYP2D6 P10635 1/20 0.31
CA1 P00915 1/20 0.31
CA7 P43166 1/20 0.31
DGAT1 O75907 1/20 0.31
CTSK P43235 1/20 0.30
MEN1 O00255 1/20 0.30
GAA P10253 1/20 0.30
KMT2A Q03164 1/20 0.30

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
SCHEMBL4574160 0.90 MAOA (0.42) MAOAMAOBCA2CA12CA14
SCHEMBL6535041 0.87 MAOA (0.44) MAOAMAOBCA2CA12CA14
SCHEMBL9612246 0.85 MAOA (0.43) MAOAMAOBCA2CA12CA14
SCHEMBL871751 0.83 CA2 (0.37) CA2CA12CA14TDP1PTPRC
SCHEMBL3297916 0.79 MAOA (0.40) MAOAMAOBCA2CA12CA14
SCHEMBL18407102 0.79 MAOA (0.40) MAOAMAOBCA2CA12CA14
SCHEMBL308856 0.79 EPHX2 (0.36) CA2CA12CA14TDP1CYP2D6
SCHEMBL783009 0.78 CA2 (0.41) MAOAMAOBCA2CA12CA14
SCHEMBL12450077 0.78 MAOA (0.39) MAOAMAOBCA2CA12CA14
SCHEMBL22235058 0.78 MAOA (0.39) MAOAMAOBCA2CA12CA14

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-2128134-A1 SULFONYLUREA DERIVATIVE CAPABLE OF SELECTIVELY INHIBITING MMP-13 Shionogi&Co., Ltd. (JP) 2009-12-02 EP disclosed