SCHEMBL4376050

SCHEMBL4376050

Cc1sc(C(=O)N[C@@H](Cc2ccccc2C(F)(F)F)C(NC(=O)O)C(C)(C)C)cc1Br

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AKT1 P31749 2/20 0.44
AKT2 P31751 2/20 0.44
AKT3 Q9Y243 2/20 0.44
KIFC1 Q9BW19 2/20 0.37
EPHX2 P34913 8/20 0.36
PPARG P37231 8/20 0.36
CACNA1G O43497 1/20 0.35
CACNA1H O95180 1/20 0.35
CACNA1I Q9P0X4 1/20 0.35
PPARA Q07869 1/20 0.34
ANO1 Q5XXA6 1/20 0.34
HDAC3 O15379 1/20 0.33
HDAC4 P56524 1/20 0.33
HDAC1 Q13547 1/20 0.33
HDAC7 Q8WUI4 1/20 0.33
HDAC2 Q92769 1/20 0.33
HDAC10 Q969S8 1/20 0.33
HDAC11 Q96DB2 1/20 0.33
HDAC8 Q9BY41 1/20 0.33
HDAC6 Q9UBN7 1/20 0.33

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
SCHEMBL4379890 0.91 AKT1 (0.43) AKT1AKT2AKT3EPHX2PPARG
SCHEMBL4380618 0.85 ALDH1A1 (0.41) AKT1AKT2AKT3EPHX2PPARG
SCHEMBL27770723 0.82 AKT1 (0.46) AKT1AKT2AKT3KIFC1EPHX2
SCHEMBL3506057 0.80 AKT1 (0.49) AKT1AKT2AKT3KIFC1EPHX2
SCHEMBL3506060 0.80 AKT1 (0.49) AKT1AKT2AKT3KIFC1EPHX2
SCHEMBL4382045 0.80 EPHX2 (0.37) AKT1AKT2AKT3EPHX2PPARG
SCHEMBL4543991 0.80 AKT1 (0.45) AKT1AKT2AKT3EPHX2
SCHEMBL12679845 0.79 AKT1 (0.50) AKT1AKT2AKT3KIFC1EPHX2
SCHEMBL1529857 0.79 AKT1 (0.46) AKT1AKT2AKT3KIFC1EPHX2
SCHEMBL1529859 0.79 AKT1 (0.46) AKT1AKT2AKT3KIFC1EPHX2

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-2117523-A1 INHIBITORS OF AKT ACTIVITY SmithKline Beecham Corporation (US) 2009-11-18 EP disclosed
WO-2008098104-A1 INHIBITORS OF AKT ACTIVITY SMITHKLINE BEECHAM CORPORATION (US) 2008-08-14 WO disclosed