SCHEMBL19337828

SCHEMBL19337828

CC(C)(C)OC(=O)NC1C=C[C@H](C(N)=O)C1

nearest known ligand 0.51

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
NFKB1 P19838 5/20 0.51
NFKB2 Q00653 5/20 0.51
RELA Q04206 5/20 0.51
BTK Q06187 1/20 0.40
CTSK P43235 2/20 0.38
KDM1A O60341 2/20 0.37
GAA P10253 1/20 0.36
MAOB P27338 1/20 0.36
EPHX2 P34913 1/20 0.35
KMT2A Q03164 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34

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
SCHEMBL2137399 0.86 NFKB1 (0.53) NFKB1NFKB2RELABTKCTSK
SCHEMBL605148 0.86 NFKB1 (0.53) NFKB1NFKB2RELABTKCTSK
SCHEMBL12951153 0.86 NFKB1 (0.53) NFKB1NFKB2RELABTKCTSK
SCHEMBL1078254 0.86 NFKB1 (0.53) NFKB1NFKB2RELABTKCTSK
SCHEMBL605147 0.86 NFKB1 (0.53) NFKB1NFKB2RELABTKCTSK
SCHEMBL5270119 0.86 NFKB1 (0.53) NFKB1NFKB2RELABTKCTSK
SCHEMBL605621 0.86 NFKB1 (0.53) NFKB1NFKB2RELABTKCTSK
SCHEMBL15215795 0.86 NFKB1 (0.53) NFKB1NFKB2RELABTKCTSK
SCHEMBL4951462 0.86 NFKB1 (0.53) NFKB1NFKB2RELABTKCTSK
SCHEMBL4274302 0.86 NFKB1 (0.53) NFKB1NFKB2RELABTKCTSK

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
EP-2834234-B1 FUSED CYCLOPENTYL ANTAGONISTS OF CCR2 JANSSEN PHARMACEUTICA NV (BE) 2017-09-13 EP disclosed