SCHEMBL4584032

SCHEMBL4584032

CC(C)(C)C(NC(=O)O)C(N)c1cccc(F)c1

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HDAC4 P56524 1/20 0.43
HDAC7 Q8WUI4 1/20 0.43
HDAC5 Q9UQL6 1/20 0.43
CNR2 P34972 1/20 0.43
CYP26A1 O43174 1/20 0.42
MTOR P42345 1/20 0.42
KDM4E B2RXH2 1/20 0.39
CES2 O00748 1/20 0.39
CES1 P23141 1/20 0.39
GPR139 Q6DWJ6 1/20 0.38
ALDH1A1 P00352 1/20 0.38
LMNA P02545 1/20 0.38
GAA P10253 1/20 0.38
EPHX1 P07099 1/20 0.38
DPP4 P27487 1/20 0.38
DPP7 Q9UHL4 1/20 0.38
SLC6A9 P48067 1/20 0.37
SLC6A5 Q9Y345 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
SCHEMBL4373941 0.84 DPP4 (0.43) KDM4EALDH1A1LMNADPP4
SCHEMBL4377187 0.84 DPP4 (0.43) KDM4EALDH1A1LMNADPP4
SCHEMBL4371128 0.83 TRPM8 (0.41) GPR139ALDH1A1
SCHEMBL4371626 0.82 ALDH1A1 (0.38) HDAC4HDAC7HDAC5CNR2KDM4E
SCHEMBL15169778 0.76 HDAC4 (0.44) HDAC4HDAC7HDAC5CNR2CYP26A1
SCHEMBL4584586 0.74 GAA (0.46) HDAC4HDAC7HDAC5CNR2CES2
SCHEMBL23000166 0.74 MTOR (0.60) HDAC4HDAC7HDAC5CNR2MTOR
SCHEMBL4380602 0.74 PRCP (0.41) HDAC4HDAC7HDAC5CNR2CYP26A1
SCHEMBL19305439 0.72 HDAC4 (0.43) HDAC4HDAC7HDAC5CNR2CYP26A1
SCHEMBL15081379 0.72 CTSS (0.46) HDAC4HDAC7HDAC5CNR2MTOR

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