SCHEMBL4595555

SCHEMBL4595555

COc1cccc(C(O)CC(NC(=O)O)C(C)(C)C)c1F

nearest known ligand 0.40

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.39
HTT P42858 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
GAA P10253 1/20 0.35
KAT6A Q92794 1/20 0.35
CTSA P10619 6/20 0.35
SMN1; SMN2 Q16637 1/20 0.34
CA12 O43570 1/20 0.34
CA1 P00915 1/20 0.34
CA2 P00918 1/20 0.34
CA7 P43166 1/20 0.34
CA9 Q16790 1/20 0.34
CA14 Q9ULX7 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
SCHEMBL4596259 0.80 CNR2 (0.43) GAACTSASMN1; SMN2
SCHEMBL4595541 0.79 POLB (0.38) POLBHTTNPSR1L3MBTL1GAA
SCHEMBL5067918 0.77 LMNA (0.45) POLBHTTNPSR1L3MBTL1KAT6A
SCHEMBL14690869 0.75 POLB (0.50) POLBHTTNPSR1L3MBTL1CTSA
SCHEMBL5061358 0.75 POLB (0.43) POLBHTTNPSR1L3MBTL1KAT6A
SCHEMBL4596289 0.75 ADRB2 (0.51) CTSA
SCHEMBL4596066 0.73 L3MBTL1 (0.53) POLBL3MBTL1
SCHEMBL13997819 0.72 DRD2 (0.42) L3MBTL1
SCHEMBL4596291 0.72 RIPK1 (0.45) L3MBTL1SMN1; SMN2
SCHEMBL4595044 0.72 RIPK1 (0.45) L3MBTL1SMN1; SMN2

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1874768-A2 INHIBITORS OF AKT ACTIVITY SMITHKLINE BEECHAM CORPORATION (US) 2008-01-09 EP disclosed
WO-2006113837-A2 INHIBITORS OF AKT ACTIVITY SMITHKLINE BEECHAM CORPORATION (US) 2006-10-26 WO disclosed