SCHEMBL7428709

SCHEMBL7428709

CC(=O)OC1CS(=O)(=O)c2ccc(CNC(=O)OC(C)(C)C)cc21

nearest known ligand 0.39

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
GLS O94925 3/20 0.39
NAMPT P43490 2/20 0.39
L3MBTL1 Q9Y468 1/20 0.38
BRD4 O60885 2/20 0.37
CREBBP Q92793 1/20 0.36
HDAC1 Q13547 1/20 0.36
FPR3 P25089 1/20 0.36
FPR2 P25090 1/20 0.36
BRD9 Q9H8M2 1/20 0.36
BAZ2B Q9UIF8 1/20 0.36
BAZ2A Q9UIF9 1/20 0.36
GRM2 Q14416 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
GAA P10253 1/20 0.35
KDM4A O75164 1/20 0.35
ROCK2 O75116 1/20 0.34
BCHE P06276 1/20 0.34
CA1 P00915 1/20 0.34
CA2 P00918 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
SCHEMBL7425049 0.81 HDAC1 (0.40) GLSNAMPTL3MBTL1BRD4CREBBP
SCHEMBL7129747 0.78 HDAC1 (0.42) GLSNAMPTL3MBTL1BRD4CREBBP
SCHEMBL7435753 0.74 HDAC1 (0.40) GLSNAMPTL3MBTL1BRD4CREBBP
SCHEMBL17171456 0.73 GPR119 (0.46) GLSNAMPTL3MBTL1HDAC1GAA
SCHEMBL7435220 0.72 NAMPT (0.42) GLSNAMPTL3MBTL1BRD4CREBBP
SCHEMBL7129744 0.70 NAMPT (0.41) GLSNAMPTL3MBTL1BRD4CREBBP
SCHEMBL13055397 0.70 KDM4A (0.51) GLSNAMPTL3MBTL1HDAC1GAA
SCHEMBL3180689 0.70 L3MBTL1 (0.61) NAMPTL3MBTL1HDAC1FPR3FPR2
SCHEMBL24619900 0.69 IGF1R (0.48) GLSNAMPTL3MBTL1BRD4CREBBP
SCHEMBL15486014 0.69 L3MBTL1 (0.42) GLSNAMPTL3MBTL1BRD4HDAC1

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
EP-0375451-A2 Compounds having a renin-inhibiting activity BEECHAM GROUP PLC (GB) 1990-06-27 EP disclosed