SCHEMBL8209429

SCHEMBL8209429

CC(C)(C)OC(=O)N1CC(C=O)c2ccc(Br)cc21

nearest known ligand 0.40

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
USP30 Q70CQ3 3/20 0.40
RORC P51449 2/20 0.36
BACE1 P56817 3/20 0.36
NR1H2 P55055 2/20 0.36
NR1H3 Q13133 1/20 0.36
UCHL1 P09936 1/20 0.35
KDM1A O60341 1/20 0.34
KRAS P01116 2/20 0.34
ROCK2 O75116 1/20 0.34
FPR2 P25090 1/20 0.33
CDK1 P06493 1/20 0.33
KDM4E B2RXH2 1/20 0.33
EPHA2 P29317 1/20 0.33

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
SCHEMBL8202021 0.85 USP30 (0.37) USP30RORCBACE1NR1H2NR1H3
SCHEMBL17792475 0.84 USP30 (0.44) USP30RORCBACE1NR1H2NR1H3
SCHEMBL31661168 0.82 USP30 (0.41) USP30RORCBACE1NR1H2NR1H3
SCHEMBL8210497 0.78 HDAC1 (0.34) USP30KDM1AKDM4E
SCHEMBL30805912 0.74 USP30 (0.39) USP30RORCBACE1KRASFPR2
SCHEMBL16721279 0.74 USP30 (0.43) USP30RORCBACE1UCHL1FPR2
SCHEMBL16721274 0.74 USP30 (0.43) USP30RORCBACE1UCHL1FPR2
SCHEMBL20131490 0.74 MEN1 (0.35) USP30UCHL1FPR2KDM4E
SCHEMBL16721581 0.73 USP30 (0.42) USP30RORCBACE1NR1H2NR1H3
SCHEMBL31694093 0.73 USP30 (0.40) USP30RORCBACE1NR1H2NR1H3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2008033747-A9 MULTI-FUNCTIONAL SMALL MOLECULES AS ANTI-PROLIFERATIVE AGENTS CURIS INC (MA) 2008-07-24 WO disclosed
WO-2008033744-A2 DNA METHYL TRANSFERASE INHIBITORS CONTAINING A ZINC BINDING MOIETY CURIS, INC. (US) 2008-03-20 WO disclosed
WO-2008033747-A2 MULTI-FUNCTIONAL SMALL MOLECULES AS ANTI-PROLIFERATIVE AGENTS CURIS, INC. (US) 2008-03-20 WO disclosed