SCHEMBL28082206

SCHEMBL28082206

CC(C)(C)OC(=O)NC1CC(O)(C[C]=O)C1

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CTSK P43235 2/20 0.43
BTK Q06187 1/20 0.42
HCRTR2 O43614 1/20 0.39
GAA P10253 2/20 0.38
KDM1A O60341 1/20 0.38
MAOB P27338 1/20 0.38
EPHX1 P07099 1/20 0.38
HSD11B1 P28845 3/20 0.37
EPHX2 P34913 1/20 0.37
NFKB1 P19838 1/20 0.37
NFKB2 Q00653 1/20 0.37
RELA Q04206 1/20 0.37
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36
KMT2A Q03164 2/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
KCNA3 P22001 1/20 0.36
MEN1 O00255 1/20 0.35
MAPK1 P28482 1/20 0.35

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
SCHEMBL28545540 0.83 BTK (0.45) CTSKBTKHCRTR2GAAKDM1A
SCHEMBL10270072 0.83 BTK (0.45) CTSKBTKHCRTR2GAAKDM1A
SCHEMBL10216172 0.83 BTK (0.45) CTSKBTKHCRTR2GAAKDM1A
SCHEMBL21162036 0.83 BTK (0.45) CTSKBTKHCRTR2GAAKDM1A
SCHEMBL10270192 0.81 BTK (0.44) CTSKBTKHCRTR2GAAKDM1A
SCHEMBL25572590 0.81 BTK (0.44) CTSKBTKHCRTR2GAAKDM1A
SCHEMBL10269810 0.81 BTK (0.44) CTSKBTKHCRTR2GAAKDM1A
SCHEMBL25572589 0.81 BTK (0.44) CTSKBTKHCRTR2GAAKDM1A
SCHEMBL25572588 0.81 BTK (0.44) CTSKBTKHCRTR2GAAKDM1A
SCHEMBL10216171 0.80 BTK (0.43) CTSKBTKHCRTR2GAAEPHX1

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
CN-103360440-B Antibacterial aminoglycoside analogs 尔察祯有限公司 2016-08-31 CN disclosed