SCHEMBL8942433

SCHEMBL8942433

CC(C)(C)OC(=O)N(O)CCNC(N)=O

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CA14 Q9ULX7 2/20 0.41
MAOA P21397 1/20 0.36
MAOB P27338 1/20 0.36
TDP1 Q9NUW8 1/20 0.34
MEN1 O00255 1/20 0.33
GAA P10253 1/20 0.33
KMT2A Q03164 1/20 0.33
HDAC6 Q9UBN7 2/20 0.32
CA12 O43570 1/20 0.32
CA1 P00915 1/20 0.32
CA7 P43166 1/20 0.32
HDAC1 Q13547 1/20 0.32
HDAC2 Q92769 1/20 0.32
AAK1 Q2M2I8 1/20 0.31

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
SCHEMBL24401196 0.80 CA14 (0.41) CA14TDP1MEN1GAAKMT2A
SCHEMBL8782986 0.76 MAOA (0.50) CA14MAOAMAOBTDP1MEN1
SCHEMBL929384 0.76 HDAC6 (0.36) CA14HDAC6CA12CA1CA7
SCHEMBL9901110 0.74 CA14 (0.44) CA14HDAC6CA12CA1CA7
SCHEMBL12286131 0.72 MAOA (0.43) CA14MAOAMAOBTDP1MEN1
SCHEMBL15049400 0.72 MAOA (0.57) MAOAMAOBTDP1MEN1GAA
SCHEMBL9434997 0.71 CA14 (0.43) CA14MAOAMAOBTDP1MEN1
SCHEMBL4061706 0.71 TDP1 (0.42) CA14TDP1HDAC6CA12CA1
SCHEMBL25074829 0.71 HDAC6 (0.35) CA14HDAC6CA12CA1CA7
SCHEMBL24172307 0.71 CA12 (0.39) CA14HDAC6CA12CA1CA7

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-5514702-A Arylamidoalkyl-N-hydroxyurea compounds having lipoxygenase inhibitory activity ABBOTT LABORATORIES (US) 1996-05-07 US disclosed