SCHEMBL4583327

SCHEMBL4583327

CC(C)(C)C(NC(=O)O)C(=O)Cc1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
CNR2 P34972 5/20 0.45
CNR1 P21554 1/20 0.45
POLB P06746 1/20 0.43
CES2 O00748 1/20 0.42
CES1 P23141 1/20 0.42
AKR1B1 P15121 1/20 0.42
HPGD P15428 3/20 0.42
ALDH1A1 P00352 2/20 0.42
MMP2 P08253 2/20 0.42
MMP3 P08254 1/20 0.42
HDAC8 Q9BY41 1/20 0.42
HDAC6 Q9UBN7 1/20 0.42
GAA P10253 1/20 0.42
MAPT P10636 1/20 0.42
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2D6 P10635 1/20 0.41
CYP2C9 P11712 1/20 0.41

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
SCHEMBL12482254 0.80 POLB (0.54) MEN1KMT2ACNR2CNR1POLB
SCHEMBL1991963 0.77 POLB (0.50) MEN1KMT2ACNR2CNR1POLB
SCHEMBL834974 0.77 POLB (0.50) MEN1KMT2ACNR2CNR1POLB
SCHEMBL4473658 0.77 POLB (0.50) MEN1KMT2ACNR2CNR1POLB
SCHEMBL7894643 0.77 MEN1 (0.56) MEN1KMT2ACNR2CNR1POLB
SCHEMBL16114842 0.77 MEN1 (0.56) MEN1KMT2ACNR2CNR1POLB
SCHEMBL14943683 0.75 MEN1 (0.55) MEN1KMT2ACNR2CNR1POLB
SCHEMBL16322617 0.75 CES1 (0.48) MEN1KMT2ACNR2CES2CES1
SCHEMBL12401203 0.74 MEN1 (0.54) MEN1KMT2ACNR2CNR1POLB
SCHEMBL15219609 0.74 MEN1 (0.54) MEN1KMT2ACNR2CNR1POLB

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