SCHEMBL4379225

SCHEMBL4379225

CC(C)(C)C(NC(=O)O)C(Cc1ccccc1)NC(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)s1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ANPEP P15144 1/20 0.36
LAP3 P28838 1/20 0.36
CTSD P07339 2/20 0.33
BACE1 P56817 2/20 0.33
BACE2 Q9Y5Z0 2/20 0.33
HPGD P15428 1/20 0.33
PSMB11 A5LHX3 2/20 0.33
PSMA7 O14818 2/20 0.33
PSMB1 P20618 2/20 0.33
PSMA1 P25786 2/20 0.33
PSMA2 P25787 2/20 0.33
PSMA3 P25788 2/20 0.33
PSMA4 P25789 2/20 0.33
PSMB8 P28062 2/20 0.33
PSMB9 P28065 2/20 0.33
PSMA5 P28066 2/20 0.33
PSMB4 P28070 2/20 0.33
PSMB6 P28072 2/20 0.33
PSMB5 P28074 2/20 0.33
PSMB10 P40306 2/20 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
SCHEMBL4379925 0.85 HDAC1 (0.38) BACE1HPGDHPGDSSMN1; SMN2HDAC3
SCHEMBL8233879 0.80 PIN1 (0.41) ANPEPLAP3BACE1HPGDCTSL
SCHEMBL4382189 0.79 ACKR3 (0.43) HPGDCTSLL3MBTL1KMT2ANPC1
SCHEMBL4375386 0.79 ACKR3 (0.43) HPGDCTSLL3MBTL1KMT2ANPC1
SCHEMBL1529917 0.77 PIN1 (0.37) ANPEPLAP3HPGDPSMB11PSMA7
SCHEMBL4583485 0.74 ALDH1A1 (0.47) HPGDHPGDSCTSLL3MBTL1KMT2A
SCHEMBL4374524 0.74 ALDH1A1 (0.47) HPGDHPGDSCTSLL3MBTL1KMT2A
SCHEMBL4378512 0.74 AKT1 (0.40) HPGDL3MBTL1KMT2APIN1
SCHEMBL4544034 0.73 HPGDS (0.38) HPGDSDYRK1ADYRK1BHDAC3HDAC4
SCHEMBL4543913 0.72 HPGDS (0.36) HPGDSDYRK1ADYRK1BHDAC3HDAC4

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 4 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
EP-1968568-A2 INHIBITORS OF Akt ACTIVITY SmithKline Beecham Corporation (US) 2008-09-17 EP disclosed
WO-2008098104-A1 INHIBITORS OF AKT ACTIVITY SMITHKLINE BEECHAM CORPORATION (US) 2008-08-14 WO disclosed
WO-2007076423-A2 INHIBITORS OF Akt ACTIVITY SMITHKLINE BEECHAM CORPORATION (US) 2007-07-05 WO disclosed