SCHEMBL4380602

SCHEMBL4380602

CC(C)(C)C(NC(=O)O)C(N)c1ccc(Cl)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRCP P42785 6/20 0.41
FFAR2 O15552 1/20 0.41
ADRB2 P07550 1/20 0.39
CYP2C9 P11712 3/20 0.39
MEN1 O00255 2/20 0.39
CYP2D6 P10635 2/20 0.39
CYP2C19 P33261 2/20 0.39
KMT2A Q03164 2/20 0.39
CNR2 P34972 1/20 0.38
CNR1 P21554 2/20 0.38
TRPA1 O75762 1/20 0.38
BRD4 O60885 1/20 0.38
HDAC4 P56524 1/20 0.38
HDAC7 Q8WUI4 1/20 0.38
HDAC5 Q9UQL6 1/20 0.38
CYP26A1 O43174 1/20 0.38
GABBR2 O75899 3/20 0.37
GABBR1 Q9UBS5 3/20 0.37
LMNA P02545 2/20 0.37
CYP3A4 P08684 1/20 0.37

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
SCHEMBL4377187 0.85 DPP4 (0.43) KMT2ALMNA
SCHEMBL4373941 0.85 DPP4 (0.43) KMT2ALMNA
SCHEMBL4371626 0.84 ALDH1A1 (0.38) CYP2C9MEN1CYP2D6CYP2C19KMT2A
SCHEMBL4371128 0.82 TRPM8 (0.41) MEN1CYP2C19KMT2ABLM
SCHEMBL4583470 0.82 NPSR1 (0.50) MEN1KMT2ACNR2CNR1CYP3A4
SCHEMBL16238974 0.77 PRCP (0.45) PRCPFFAR2ADRB2CYP2C9MEN1
SCHEMBL20204169 0.77 PRCP (0.45) PRCPFFAR2ADRB2CYP2C9MEN1
SCHEMBL16238971 0.77 PRCP (0.45) PRCPFFAR2ADRB2CYP2C9MEN1
SCHEMBL4374417 0.76 ADRB2 (0.40) ADRB2CYP2D6KMT2ANFKB1BLM
SCHEMBL391064 0.76 CYP2C9 (0.45) PRCPFFAR2ADRB2CYP2C9MEN1

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