SCHEMBL4596314

SCHEMBL4596314

CC(C)(C)[C@](C)(CO)NC(=O)O

nearest known ligand 0.32

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.32
PKM P14618 1/20 0.32
NAALAD2 Q9Y3Q0 1/20 0.30

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
SCHEMBL1692666 1.00 KDM4E (0.32) KDM4EPKMNAALAD2
SCHEMBL5010290 0.81 NAALAD2 (0.32) NAALAD2
SCHEMBL1583855 0.78 KDM4E (0.38) KDM4E
SCHEMBL25661006 0.77
SCHEMBL1028106 0.76 NAALAD2 (0.32) KDM4ENAALAD2
SCHEMBL19332407 0.75 HMGCR (0.36) KDM4E
SCHEMBL4577529 0.74 KMT2A (0.38) KDM4EPKMNAALAD2
SCHEMBL2490315 0.74
SCHEMBL5194246 0.73 PIK3CD (0.34)
SCHEMBL3910915 0.73 KDM4C (0.37) NAALAD2

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