SCHEMBL12528515

SCHEMBL12528515

CC(C)(C)OC(=O)N[C@H]1CCS[C@H]2CCC[C@@H](N)N2C1=O

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ACE P12821 2/20 0.40
APP P05067 1/20 0.40
MME P08473 1/20 0.40
F2 P00734 1/20 0.39
F10 P00742 1/20 0.39
PRSS1 P07477 1/20 0.39
GAA P10253 1/20 0.38
BTK Q06187 1/20 0.36
CTSK P43235 2/20 0.34
NFKB1 P19838 1/20 0.34
NFKB2 Q00653 1/20 0.34
RELA Q04206 1/20 0.34
CA1 P00915 1/20 0.34
CA2 P00918 1/20 0.34
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
SCHEMBL12528510 0.87 ACE (0.45) ACEAPPMMEF2F10
SCHEMBL17770859 0.86 PREP (0.41) ACEAPPMMEF2F10
SCHEMBL12494246 0.85 ACE (0.55) ACEAPPMMEGAABTK
SCHEMBL12494970 0.85 ACE (0.55) ACEAPPMMEGAABTK
SCHEMBL17770880 0.85 ACE (0.41) ACEAPPMMEF2F10
SCHEMBL12493867 0.85 ACE (0.55) ACEAPPMMEGAABTK
SCHEMBL12528418 0.85 ACE (0.41) ACEAPPMMEF2F10
SCHEMBL12528400 0.85 ACE (0.43) ACEAPPMMEF2F10
SCHEMBL12493823 0.84 ACE (0.45) ACEAPPMMEF2F10
SCHEMBL12494444 0.84 ACE (0.45) ACEAPPMMEF2F10

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
WO-2012125622-A1 SUBSTITUTED ADIPIC ACID AMIDES AND USES THEREOF BRISTOL-MYERS SQUIBB COMPANY (US) 2012-09-20 WO disclosed