SCHEMBL3694232

SCHEMBL3694232

CC(C)(C)OC(=O)N[C@@]1(OC=O)C[C@@H]1C1CC1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.38
MAPK1 P28482 1/20 0.38
KMT2A Q03164 1/20 0.38
NFKB1 P19838 1/20 0.33
NFKB2 Q00653 1/20 0.33
RELA Q04206 1/20 0.33
BTK Q06187 1/20 0.33
CTSK P43235 3/20 0.32
GAA P10253 2/20 0.32
EPHX1 P07099 1/20 0.31
PSEN1 P49768 1/20 0.31
PSEN2 P49810 1/20 0.31
APH1B Q8WW43 1/20 0.31
NCSTN Q92542 1/20 0.31
APH1A Q96BI3 1/20 0.31
PSENEN Q9NZ42 1/20 0.31
DPP8 Q6V1X1 2/20 0.31
DPP9 Q86TI2 2/20 0.31
APLNR P35414 1/20 0.31
HCRTR2 O43614 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
SCHEMBL3649894 1.00 MEN1 (0.38) MEN1MAPK1KMT2ANFKB1NFKB2
SCHEMBL1636481 1.00 MEN1 (0.38) MEN1MAPK1KMT2ANFKB1NFKB2
SCHEMBL28049898 0.81 MEN1 (0.37) MEN1MAPK1KMT2ANFKB1NFKB2
SCHEMBL3361308 0.81 MEN1 (0.37) MEN1MAPK1KMT2ANFKB1NFKB2
SCHEMBL4383932 0.78 KMT2A (0.37) MEN1MAPK1KMT2ANFKB1NFKB2
SCHEMBL7936343 0.73 KMT2A (0.39) MEN1MAPK1KMT2ANFKB1NFKB2
SCHEMBL1635700 0.73 KMT2A (0.39) MEN1MAPK1KMT2ANFKB1NFKB2
SCHEMBL3645354 0.73 KMT2A (0.39) MEN1MAPK1KMT2ANFKB1NFKB2
SCHEMBL15125116 0.73 KMT2A (0.39) MEN1MAPK1KMT2ANFKB1NFKB2
SCHEMBL1636480 0.73 KMT2A (0.39) MEN1MAPK1KMT2ANFKB1NFKB2

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-2185524-A1 NOVEL PEPTIDE INHIBITORS OF HEPATITIS C VIRUS REPLICATION Intermune, Inc. (US) 2010-05-19 EP disclosed
WO-2008141227-A1 NOVEL PEPTIDE INHIBITORS OF HEPATITIS C VIRUS REPLICATION INTERMUNE, INC. (US) 2008-11-20 WO disclosed