SCHEMBL17445245

SCHEMBL17445245

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

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MAOA P21397 1/20 0.42
MAOB P27338 1/20 0.42
TDP1 Q9NUW8 1/20 0.37
CA1 P00915 6/20 0.36
CA2 P00918 6/20 0.36
CA7 P43166 2/20 0.36
CTSK P43235 4/20 0.36
MEN1 O00255 1/20 0.35
GAA P10253 1/20 0.35
KMT2A Q03164 1/20 0.35
CA12 O43570 7/20 0.34
CA9 Q16790 4/20 0.34
CA14 Q9ULX7 3/20 0.34
APLNR P35414 1/20 0.34

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
SCHEMBL8374138 0.85 MEN1 (0.39) MAOAMAOBTDP1CA1CA2
SCHEMBL12142875 0.80 TDP1 (0.39) MAOAMAOBTDP1CA1CA2
SCHEMBL3709339 0.80 TDP1 (0.47) MAOAMAOBTDP1CA1CA2
SCHEMBL14077932 0.80 MAOA (0.45) MAOAMAOBTDP1CA1CA2
SCHEMBL20464123 0.80 CA1 (0.43) MAOAMAOBTDP1CA1CA2
SCHEMBL5494091 0.80 APLNR (0.40) MAOAMAOBTDP1CA1CA2
SCHEMBL28883683 0.79 LMNA (0.38) MAOAMAOBTDP1CA1CA2
SCHEMBL13744650 0.78 CA12 (0.39) MAOAMAOBTDP1CA1CA2
SCHEMBL4697256 0.78 TDP1 (0.38) MAOAMAOBTDP1CA1CA2
SCHEMBL20880909 0.78 TDP1 (0.38) MAOAMAOBTDP1CA1CA2

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
US-20160160206-A1 Aldehyde-Tagged Protein-Based Drug Carriers and Methods of Use CATALENT PHARMA SOLUTIONS, LLC 2016-06-09 US disclosed
US-9238878-B2 Aldehyde-tagged protein-based drug carriers and methods of use REDWOOD BIOSCIENCE, INC. (US) 2016-01-19 US disclosed