SCHEMBL13740499

SCHEMBL13740499

COC(=O)[C@@H](N)C1(NC(=O)OC(C)(C)C)CCC1

nearest known ligand 0.37

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CA12 O43570 1/20 0.37
CA14 Q9ULX7 1/20 0.37
CTSL P07711 1/20 0.33
MEN1 O00255 1/20 0.33
MAPK1 P28482 1/20 0.33
KMT2A Q03164 1/20 0.33
NFKB1 P19838 1/20 0.32
NFKB2 Q00653 1/20 0.32
RELA Q04206 1/20 0.32
APLNR P35414 1/20 0.32
BTK Q06187 1/20 0.31
CA1 P00915 1/20 0.30
CA2 P00918 1/20 0.30
CA7 P43166 1/20 0.30
CTSK P43235 1/20 0.30
DGAT1 O75907 1/20 0.30
ITGB3 P05106 1/20 0.30
ITGA2B P08514 1/20 0.30
GAA P10253 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
SCHEMBL27936021 1.00 CA12 (0.37) CA12CA14CTSLMEN1MAPK1
SCHEMBL29395889 0.80 CA1 (0.34) CA12CA14CTSLMEN1MAPK1
SCHEMBL24052174 0.79 CA12 (0.43) CA12CA14CTSLMEN1MAPK1
SCHEMBL29399267 0.76 GAA (0.35) CA12CA14CTSLMEN1MAPK1
SCHEMBL18878390 0.76 CTSL (0.39) CA12CA14CTSLMEN1MAPK1
SCHEMBL28677638 0.76 CTSL (0.39) CA12CA14CTSLMEN1MAPK1
SCHEMBL14376625 0.75 CTSL (0.36) CTSLMEN1MAPK1KMT2ANFKB1
SCHEMBL1965623 0.75 BTK (0.38) CTSLMEN1MAPK1KMT2ANFKB1
SCHEMBL20414921 0.74 CA12 (0.34) CA12CA14CTSLMEN1MAPK1
SCHEMBL6888536 0.73 CTSL (0.35) CTSLMEN1MAPK1KMT2ANFKB1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2638006-A1 HYDROXAMIC ACID DERIVATIVES AND THEIR USE IN THE TREATMENT OF BACTERIAL INFECTIONS Achaogen, Inc. (US) 2013-09-18 EP disclosed
WO-2012154204-A1 HYDROXAMIC ACID DERIVATIVES AND THEIR USE IN THE TREATMENT OF BACTERIAL INFECTIONS ACHAOGEN, INC. (US) 2012-11-15 WO disclosed
WO-2012154204-A1 HYDROXAMIC ACID DERIVATIVES AND THEIR USE IN THE TREATMENT OF BACTERIAL INFECTIONS ACHAOGEN, INC. (US) 2012-11-15 WO disclosed