SCHEMBL14969045

SCHEMBL14969045

CC(C)(C)OC(=O)NC(CCON1C(=O)c2ccccc2C1=O)C(=O)OC(C)(C)C

nearest known ligand 0.44

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.43
CTSK P43235 7/20 0.42
CTSS P25774 4/20 0.42
CTSL P07711 1/20 0.41
CTSB P07858 1/20 0.41
AKT1 P31749 1/20 0.41
PPARA Q07869 2/20 0.40
PPARG P37231 1/20 0.40
IDO1 P14902 1/20 0.40
ACE P12821 1/20 0.39
SCN9A Q15858 1/20 0.39
MALT1 Q9UDY8 1/20 0.39

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
SCHEMBL31250439 0.94 KLK5 (0.43) GAACTSKCTSSCTSLCTSB
SCHEMBL9813244 0.88 CTSK (0.42) GAACTSKCTSSCTSLCTSB
SCHEMBL9481477 0.88 CTSK (0.42) GAACTSKCTSSCTSLCTSB
SCHEMBL8752932 0.86 GAA (0.44) GAACTSKCTSSCTSLCTSB
SCHEMBL9114796 0.86 GAA (0.44) GAACTSKCTSSCTSLCTSB
SCHEMBL25094921 0.85 GAA (0.43) GAACTSKCTSSCTSLCTSB
SCHEMBL9111680 0.84 GAA (0.43) GAACTSKCTSSAKT1MALT1
SCHEMBL8752900 0.84 GAA (0.43) GAACTSKCTSSAKT1MALT1
SCHEMBL8752885 0.84 SYK (0.45) GAACTSKCTSSCTSLCTSB
SCHEMBL5033293 0.81 MMP2 (0.46) CTSKCTSSAKT1IDO1

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-2013072882-A1 2 -AMINO- 1, 8 -NAPHTHYRIDINE-3 -CARBOXAMIDE DERIVATIVES AS ANTIMICROBIAL AGENTS ACTELION PHARMACEUTICALS LTD (CH) 2013-05-23 WO disclosed