SCHEMBL21035310

SCHEMBL21035310

CC(C)(C)OC(=O)NC1CCNC(F)(F)C1

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
BTK Q06187 1/20 0.44
CTSK P43235 2/20 0.42
GAA P10253 2/20 0.40
EPHX2 P34913 1/20 0.39
HSD11B1 P28845 6/20 0.39
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
KDM1A O60341 1/20 0.37
MAOB P27338 1/20 0.37
EPHX1 P07099 1/20 0.37
NFKB1 P19838 1/20 0.36
NFKB2 Q00653 1/20 0.36
RELA Q04206 1/20 0.36
CYP2C9 P11712 1/20 0.36
KMT2A Q03164 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36

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
SCHEMBL31211275 0.84 BTK (0.46) BTKCTSKGAAEPHX2HSD11B1
SCHEMBL31599674 0.82 BTK (0.44) BTKCTSKGAAEPHX2HSD11B1
SCHEMBL26621674 0.80 BTK (0.46) BTKCTSKGAAEPHX2HSD11B1
SCHEMBL8150637 0.78 BTK (0.41) BTKCTSKGAAEPHX2HSD11B1
SCHEMBL8149726 0.78 BTK (0.44) BTKCTSKGAAEPHX2HSD11B1
SCHEMBL7735878 0.78 BTK (0.44) BTKCTSKGAAEPHX2HSD11B1
SCHEMBL8143603 0.78 BTK (0.41) BTKCTSKGAAEPHX2HSD11B1
SCHEMBL2544844 0.77 BTK (0.48) BTKCTSKGAAEPHX2HSD11B1
SCHEMBL1951353 0.77 BTK (0.48) BTKCTSKGAAEPHX2HSD11B1
SCHEMBL31650573 0.77 BTK (0.44) BTKCTSKGAAEPHX2HSD11B1

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-2019104011-A1 CERAMIDE GALACTOSYLTRANSFERASE INHIBITORS FOR THE TREATMENT OF DISEASE BIOMARIN PHARMACEUTICAL INC. (US) 2019-05-31 WO disclosed