SCHEMBL13624568

SCHEMBL13624568

CC(C)(C)OC(=O)N[C@@H]1CCCC(=O)[C@@H]1N

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
NFKB1 P19838 1/20 0.42
NFKB2 Q00653 1/20 0.42
RELA Q04206 1/20 0.42
BTK Q06187 1/20 0.41
GAA P10253 2/20 0.40
KDM1A O60341 2/20 0.39
HDAC4 P56524 1/20 0.37
HDAC6 Q9UBN7 1/20 0.37
MAOB P27338 1/20 0.37
F2 P00734 1/20 0.37
F10 P00742 1/20 0.37
PRSS1 P07477 1/20 0.37
EPHX1 P07099 1/20 0.37
CTSK P43235 2/20 0.36
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36
KMT2A Q03164 2/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
ALDH1A1 P00352 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
SCHEMBL2627328 0.84 NFKB1 (0.43) NFKB1NFKB2RELABTKGAA
SCHEMBL24818982 0.78 GAA (0.51) NFKB1NFKB2RELABTKGAA
SCHEMBL764580 0.78 GAA (0.51) NFKB1NFKB2RELABTKGAA
SCHEMBL15192054 0.78 GAA (0.51) NFKB1NFKB2RELABTKGAA
SCHEMBL765253 0.77 BTK (0.53) NFKB1NFKB2RELABTKGAA
SCHEMBL1988919 0.77 NFKB1 (0.54) NFKB1NFKB2RELABTKGAA
SCHEMBL12649367 0.77 BTK (0.57) NFKB1NFKB2RELABTKGAA
SCHEMBL19773841 0.77 BTK (0.53) NFKB1NFKB2RELABTKGAA
SCHEMBL24062392 0.77 BTK (0.57) NFKB1NFKB2RELABTKGAA
SCHEMBL12885089 0.77 BTK (0.53) NFKB1NFKB2RELABTKGAA

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
WO-2009136995-A2 INHIBITORS OF SYK PROTEIN KINASE PORTOLA PHARMACEUTICALS, INC. (US) 2009-11-12 WO disclosed