SCHEMBL4584586

SCHEMBL4584586

CC(C)(C)C(NC(=O)O)C(N)c1ccccc1F

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.46
CNR2 P34972 2/20 0.41
ALDH1A1 P00352 2/20 0.40
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
CES2 O00748 1/20 0.36
CES1 P23141 1/20 0.36
LMNA P02545 2/20 0.36
DPP4 P27487 1/20 0.36
DPP7 Q9UHL4 1/20 0.36
KCNN4 O15554 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.35
HIF1A Q16665 1/20 0.35
CTSA P10619 1/20 0.35
MAPKAPK2 P49137 1/20 0.34
HDAC3 O15379 1/20 0.34
HDAC4 P56524 1/20 0.34
HDAC7 Q8WUI4 1/20 0.34
HDAC8 Q9BY41 1/20 0.34
HDAC6 Q9UBN7 1/20 0.34

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
SCHEMBL4387389 0.83 CNR2 (0.46) GAACNR2LMNASMN1; SMN2CTSA
SCHEMBL4374417 0.82 ADRB2 (0.40) KMT2AHIF1ACTSA
SCHEMBL4371317 0.80 ALDH1A1 (0.48) GAAALDH1A1LMNAHDAC3HDAC6
SCHEMBL4377187 0.80 DPP4 (0.43) ALDH1A1KMT2ALMNADPP4
SCHEMBL4373941 0.80 DPP4 (0.43) ALDH1A1KMT2ALMNADPP4
SCHEMBL4371626 0.76 ALDH1A1 (0.38) GAACNR2ALDH1A1MEN1KMT2A
SCHEMBL15269542 0.75 ROCK2 (0.47) GAACNR2ALDH1A1MEN1KMT2A
SCHEMBL4584032 0.74 HDAC4 (0.43) GAACNR2ALDH1A1CES2CES1
SCHEMBL25375819 0.73 GAA (0.50) GAACNR2MEN1KMT2ACES2
SCHEMBL4596259 0.71 CNR2 (0.43) GAACNR2ALDH1A1MEN1KMT2A

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