SCHEMBL4595541

SCHEMBL4595541

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

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.38
HTT P42858 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
KAT6A Q92794 1/20 0.37
CA12 O43570 1/20 0.36
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36
CA7 P43166 1/20 0.36
CA9 Q16790 1/20 0.36
CA14 Q9ULX7 1/20 0.36
ALDH1A1 P00352 3/20 0.35
LMNA P02545 1/20 0.35
ROCK2 O75116 1/20 0.35
PRKG1 Q13976 1/20 0.35
FABP3 P05413 1/20 0.34
FABP4 P15090 1/20 0.34
FABP5 Q01469 1/20 0.34
LPAR1 Q92633 1/20 0.34
GAA P10253 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
SCHEMBL4595555 0.79 POLB (0.39) POLBHTTNPSR1L3MBTL1KAT6A
SCHEMBL4381017 0.73 ALDH1A1 (0.46) ALDH1A1LMNAGAA
SCHEMBL13304123 0.73 L3MBTL1 (0.38) POLBHTTNPSR1L3MBTL1KAT6A
SCHEMBL5067918 0.72 LMNA (0.45) POLBHTTNPSR1L3MBTL1KAT6A
SCHEMBL4596146 0.72 L3MBTL1 (0.48) POLBHTTL3MBTL1ALDH1A1LMNA
SCHEMBL5061358 0.70 POLB (0.43) POLBHTTNPSR1L3MBTL1KAT6A
SCHEMBL14690869 0.70 POLB (0.50) POLBHTTNPSR1L3MBTL1CA12
SCHEMBL4380601 0.70 SLC6A4 (0.47) POLBNPSR1L3MBTL1ALDH1A1LMNA
SCHEMBL4595397 0.69 ALDH1A1 (0.41) POLBALDH1A1LMNAGAAHPGD
SCHEMBL4583474 0.69 POLB (0.46) POLBL3MBTL1ALDH1A1GAASMN1; 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