SCHEMBL626784

SCHEMBL626784

CC(C)(C)OC(=O)NCc1cc(Cl)cc(CNC(=O)OC(C)(C)C)c1

nearest known ligand 0.52

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.52
KDM4A O75164 1/20 0.46
TSHR P16473 2/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
GLS O94925 2/20 0.44
NAMPT P43490 2/20 0.43
CTSL P07711 1/20 0.43
IDO1 P14902 2/20 0.42
HDAC1 Q13547 1/20 0.42
KDM4E B2RXH2 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41

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
SCHEMBL10079633 0.93 GAA (0.47) GAAKDM4ATSHRL3MBTL1GLS
SCHEMBL13055397 0.91 KDM4A (0.51) GAAKDM4ATSHRL3MBTL1GLS
SCHEMBL30751415 0.90 GAA (0.47) GAAKDM4ATSHRL3MBTL1NAMPT
SCHEMBL30313135 0.90 GAA (0.47) GAAKDM4ATSHRL3MBTL1NAMPT
SCHEMBL22363679 0.90 EPAS1 (0.48) GAAKDM4ATSHRL3MBTL1
SCHEMBL24971041 0.90 GAA (0.47) GAAKDM4ATSHRL3MBTL1NAMPT
SCHEMBL23199572 0.87 GAA (0.45) GAAKDM4ATSHRL3MBTL1GLS
SCHEMBL16532758 0.85 GAA (0.48) GAAKDM4ATSHRL3MBTL1NAMPT
SCHEMBL30313121 0.85 GAA (0.43) GAAKDM4ATSHRL3MBTL1IDO1
SCHEMBL14877950 0.85 KDM4A (0.47) GAAKDM4AL3MBTL1GLSNAMPT

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-2012020220-A1 COMPOUNDS NOVACTA BIOSYSTEMS LIMITED (GB) 2012-02-16 WO disclosed