SCHEMBL4583474

SCHEMBL4583474

COc1ccccc1C(C(NC(=O)O)C(C)(C)C)N1C(=O)c2ccccc2C1=O

nearest known ligand 0.46

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.46
TNF P01375 7/20 0.44
PDE4A P27815 5/20 0.43
PDE4B Q07343 5/20 0.43
PDE4C Q08493 5/20 0.43
PDE4D Q08499 5/20 0.43
MAPT P10636 2/20 0.41
ALDH1A1 P00352 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.40
GAA P10253 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
TP53 P04637 1/20 0.39

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
SCHEMBL4384637 0.82 POLB (0.39) POLBALDH1A1TP53
SCHEMBL4376740 0.82 POLB (0.51) POLBTNFALDH1A1GAATP53
SCHEMBL20974084 0.78 POLB (0.48) POLBALDH1A1SMN1; SMN2GAATP53
SCHEMBL17916051 0.78 POLB (0.51) POLBTNFPDE4APDE4BPDE4C
SCHEMBL20974361 0.75 POLB (0.45) POLBALDH1A1GAATP53
SCHEMBL22805334 0.72 ALDH1A1 (0.53) POLBTNFMAPTALDH1A1GAA
SCHEMBL4378072 0.70 POLB (0.43) POLBALDH1A1SMN1; SMN2GAAL3MBTL1
SCHEMBL16165000 0.70 POLB (0.55) POLBMAPTALDH1A1TP53
SCHEMBL16165001 0.70 POLB (0.55) POLBMAPTALDH1A1TP53
SCHEMBL6694212 0.69 TNF (0.69) POLBTNFPDE4APDE4BPDE4C

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-1968568-A2 INHIBITORS OF Akt ACTIVITY SmithKline Beecham Corporation (US) 2008-09-17 EP disclosed
WO-2007076423-A2 INHIBITORS OF Akt ACTIVITY SMITHKLINE BEECHAM CORPORATION (US) 2007-07-05 WO disclosed