SCHEMBL28198523

SCHEMBL28198523

CC(C(=O)O)C1CC=CC1NC(=O)OC(C)(C)C

nearest known ligand 0.40

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
NFKB1 P19838 5/20 0.40
NFKB2 Q00653 5/20 0.40
RELA Q04206 5/20 0.40
BTK Q06187 1/20 0.37
GAA P10253 2/20 0.36
KMT2A Q03164 2/20 0.33
KDM1A O60341 2/20 0.33
MAOB P27338 1/20 0.33
MEN1 O00255 1/20 0.33
EPHX2 P34913 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.32
CTSK P43235 2/20 0.32

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
SCHEMBL29046653 0.77 BTK (0.47) NFKB1NFKB2RELABTKGAA
SCHEMBL29046655 0.77 BTK (0.47) NFKB1NFKB2RELABTKGAA
SCHEMBL28199171 0.75 MAPK1 (0.34)
SCHEMBL19497263 0.75 NFKB1 (0.45) NFKB1NFKB2RELABTKGAA
SCHEMBL3375342 0.72 NFKB1 (0.43) NFKB1NFKB2RELABTKGAA
SCHEMBL19491081 0.71 BTK (0.44) NFKB1NFKB2RELABTKGAA
SCHEMBL19491073 0.71 BTK (0.44) NFKB1NFKB2RELABTKGAA
SCHEMBL16228549 0.71 NFKB1 (0.40) NFKB1NFKB2RELABTKGAA
SCHEMBL28039500 0.69 NFKB1 (0.40) NFKB1NFKB2RELABTKGAA
SCHEMBL28199159 0.69 NFKB1 (0.40) 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
CN-105143212-B Tripeptide epoxy ketone protease inhibitors 欧尼斯治疗公司 2018-02-23 CN disclosed