SCHEMBL10079633

SCHEMBL10079633

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

nearest known ligand 0.47

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.47
KDM4A O75164 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
GLS O94925 2/20 0.40
TSHR P16473 1/20 0.40
NAMPT P43490 2/20 0.39
CTSL P07711 1/20 0.39
IDO1 P14902 2/20 0.39
HDAC1 Q13547 1/20 0.38
KDM4E B2RXH2 1/20 0.38
EPAS1 Q99814 1/20 0.37

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
SCHEMBL626784 0.93 GAA (0.52) GAAKDM4AL3MBTL1GLSTSHR
SCHEMBL13055397 0.84 KDM4A (0.51) GAAKDM4AL3MBTL1GLSTSHR
SCHEMBL30313135 0.83 GAA (0.47) GAAKDM4AL3MBTL1TSHRNAMPT
SCHEMBL22363679 0.83 EPAS1 (0.48) GAAKDM4AL3MBTL1TSHREPAS1
SCHEMBL30751415 0.83 GAA (0.47) GAAKDM4AL3MBTL1TSHRNAMPT
SCHEMBL24971041 0.83 GAA (0.47) GAAKDM4AL3MBTL1TSHRNAMPT
SCHEMBL1830157 0.81 GLS (0.54) KDM4AL3MBTL1GLSNAMPTIDO1
SCHEMBL23199572 0.81 GAA (0.45) GAAKDM4AL3MBTL1GLSTSHR
SCHEMBL2542075 0.80 L3MBTL1 (0.54) GAAKDM4AL3MBTL1NAMPTHDAC1
SCHEMBL16532758 0.79 GAA (0.48) GAAKDM4AL3MBTL1TSHRNAMPT

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