SCHEMBL6239705

SCHEMBL6239705

COC(=O)C1CC(NC(=O)OC(C)(C)C)CN1

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
BTK Q06187 1/20 0.46
EPHX2 P34913 1/20 0.43
GAA P10253 2/20 0.41
CTSK P43235 2/20 0.40
KDM1A O60341 1/20 0.38
MAOB P27338 1/20 0.38
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
CYP2C9 P11712 1/20 0.36
HSD11B1 P28845 1/20 0.36
KMT2A Q03164 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
CHEK2 O96017 2/20 0.35
REN P00797 1/20 0.35
EPHX1 P07099 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
SCHEMBL8830899 1.00 BTK (0.46) BTKEPHX2GAACTSKKDM1A
SCHEMBL28799651 1.00 BTK (0.46) BTKEPHX2GAACTSKKDM1A
SCHEMBL13282809 1.00 BTK (0.46) BTKEPHX2GAACTSKKDM1A
SCHEMBL880657 1.00 BTK (0.46) BTKEPHX2GAACTSKKDM1A
SCHEMBL8543613 1.00 BTK (0.46) BTKEPHX2GAACTSKKDM1A
Hydrochloric Acid SCHEMBL28402193 0.98 BTK (0.44) BTKEPHX2GAACTSKKDM1A
Hydrochloric Acid SCHEMBL4213546 0.98 BTK (0.44) BTKEPHX2GAACTSKKDM1A
Hydrochloric Acid SCHEMBL2318157 0.98 BTK (0.44) BTKEPHX2GAACTSKKDM1A
SCHEMBL27858926 0.88 BTK (0.39) BTKEPHX2GAACTSKKDM1A
SCHEMBL8151905 0.87 BTK (0.43) BTKEPHX2GAACTSKKDM1A

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-2005011697-A2 SULFONAMIDE DERIVATIVES WITH ACTIVITY ON PROTEIN KINASE A AND B ASTEX THERAPEUTICS LIMITED (GB) 2005-02-10 WO disclosed