SCHEMBL4379890

SCHEMBL4379890

CC(C)(C)C(NC(=O)O)[C@H](Cc1ccccc1C(F)(F)F)NC(=O)c1cc(Br)c(Cl)s1

nearest known ligand 0.43

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
AKT1 P31749 1/20 0.43
AKT2 P31751 1/20 0.43
AKT3 Q9Y243 1/20 0.43
PPARG P37231 10/20 0.39
PPARA Q07869 1/20 0.39
EPHX2 P34913 11/20 0.37
MCL1 Q07820 7/20 0.35

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
SCHEMBL4376050 0.91 AKT1 (0.44) AKT1AKT2AKT3PPARGPPARA
SCHEMBL4380031 0.86 AKT1 (0.39) AKT1AKT2AKT3MCL1
SCHEMBL4373621 0.86 AKT1 (0.39) AKT1AKT2AKT3MCL1
SCHEMBL4543991 0.85 AKT1 (0.45) AKT1AKT2AKT3EPHX2
SCHEMBL4380618 0.84 ALDH1A1 (0.41) AKT1AKT2AKT3PPARGPPARA
SCHEMBL4541109 0.82 AKT1 (0.53) AKT1AKT2AKT3MCL1
SCHEMBL4543363 0.82 AKT1 (0.39) AKT1AKT2AKT3EPHX2
SCHEMBL27770726 0.80 AKT1 (0.46) AKT1AKT2AKT3PPARGPPARA
SCHEMBL3508879 0.80 AKT1 (0.49) AKT1AKT2AKT3PPARGPPARA
SCHEMBL3508884 0.80 AKT1 (0.49) AKT1AKT2AKT3PPARGPPARA

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