SCHEMBL4563138

SCHEMBL4563138

CC1C(=O)C(C)(NC(=O)OC(C)(C)C)C(=O)N1C(=O)OC(C)(C)C

nearest known ligand 0.35

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
NFKB1 P19838 1/20 0.32
NFKB2 Q00653 1/20 0.32
RELA Q04206 1/20 0.32
GAA P10253 2/20 0.32
EPHX2 P34913 1/20 0.32
MAPK10 P53779 1/20 0.31
MEN1 O00255 1/20 0.31
MAPK1 P28482 1/20 0.31
KMT2A Q03164 1/20 0.31
BUB1 O43683 1/20 0.30

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
SCHEMBL3306751 1.00 NFKB1 (0.32) NFKB1NFKB2RELAGAAEPHX2
SCHEMBL13409202 1.00 NFKB1 (0.32) NFKB1NFKB2RELAGAAEPHX2
SCHEMBL3692487 0.83 NFKB1 (0.32) NFKB1NFKB2RELA
SCHEMBL3302910 0.83 NFKB1 (0.32) NFKB1NFKB2RELA
SCHEMBL13391516 0.69 NFKB1 (0.31) NFKB1NFKB2RELA
SCHEMBL13409204 0.68 USP2 (0.40) MAPK1
SCHEMBL29243471 0.67 NFKB1 (0.36) NFKB1NFKB2RELAGAAMAPK10
SCHEMBL4790616 0.67 NFKB1 (0.33) NFKB1NFKB2RELAGAAEPHX2
SCHEMBL28763646 0.66 LMNA (0.35) NFKB1NFKB2RELAGAA
SCHEMBL12295971 0.64 EPHX2 (0.36) EPHX2BUB1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2134681-A1 TRANS-ANNULAR REARRANGEMENT OF ACTIVE LACTAMES Centre National de la Recherche Scientifique (CNRS) (FR) 2009-12-23 EP disclosed
WO-2008125421-A1 TRANS-ANNULAR REARRANGEMENT OF ACTIVE LACTAMES CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (CNRS) (FR) 2008-10-23 WO disclosed