SCHEMBL5780052

SCHEMBL5780052

CC(C)(C)OC(=O)NC(CCc1ccccc1)C1CCNC1

nearest known ligand 0.50

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CTSK P43235 7/20 0.50
CTSS P25774 3/20 0.50
ATM Q13315 2/20 0.43
CTSL P07711 2/20 0.42
CTSB P07858 1/20 0.42
PPARA Q07869 2/20 0.41
PPARG P37231 1/20 0.41
ACE P12821 2/20 0.40
KMT2A Q03164 2/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
SCN9A Q15858 1/20 0.40

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
SCHEMBL5780237 0.89 ATM (0.50) CTSKCTSSATMCTSLCTSB
SCHEMBL27533342 0.89 ATM (0.50) CTSKCTSSATMCTSLCTSB
SCHEMBL3289149 0.89 ATM (0.50) CTSKCTSSATMCTSLCTSB
SCHEMBL8504093 0.87 CTSK (0.44) CTSKCTSSATMCTSLACE
Methylamine SCHEMBL5634041 0.87 ATM (0.48) CTSKCTSSATMCTSLCTSB
SCHEMBL7502042 0.83 CTSK (0.41) CTSKCTSSKMT2A
SCHEMBL4715527 0.79 SMYD3 (0.46) CTSKCTSS
SCHEMBL4715530 0.79 SMYD3 (0.46) CTSKCTSS
SCHEMBL9135383 0.78 CTSK (0.39) CTSKCTSSCTSLKMT2A
SCHEMBL2357543 0.78 CTSK (0.39) CTSKCTSSCTSLKMT2A

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
EP-1687296-A1 ANTIBACTERIAL AMINOQUINAZOLIDINEDIONE DERIVATIVES Warner-Lambert Company LLC (US) 2006-08-09 EP disclosed
WO-2005049605-A1 ANTIBACTERIAL AMINOQUINAZOLIDINEDIONE DERIVATIVES WARNER-LAMBERT COMPANY LLC (US) 2005-06-02 WO disclosed
WO-2005049602-A1 QUINOLONE ANTIBACTERIAL AGENTS WARNER-LAMBERT COMPANY LLC (US) 2005-06-02 WO disclosed