SCHEMBL8069680

SCHEMBL8069680

CC(C)CC(C)(C)CC(=O)NO

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP8 P22894 3/20 0.42
MMP1 P03956 4/20 0.36
PIK3CD O00329 1/20 0.35
MMP2 P08253 4/20 0.35
MMP3 P08254 3/20 0.35
MMP9 P14780 3/20 0.35
MMP13 P45452 1/20 0.35
MMP14 P50281 1/20 0.35
ADAM17 P78536 1/20 0.35
HDAC3 O15379 2/20 0.34
HDAC1 Q13547 2/20 0.34
HDAC2 Q92769 2/20 0.34
HDAC8 Q9BY41 2/20 0.34
HDAC6 Q9UBN7 2/20 0.34
FPR2 P25090 1/20 0.31
HDAC5 Q9UQL6 1/20 0.31
CHRM1 P11229 1/20 0.31
PDE4A P27815 1/20 0.31
HSP90AA1 P07900 1/20 0.30
KDM4E B2RXH2 1/20 0.30

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
SCHEMBL7900480 0.83 PIK3CD (0.35) MMP8MMP1PIK3CDMMP2MMP3
SCHEMBL12308797 0.81 CTSD (0.37) MMP8PIK3CDKDM4EKDM5CPHF8
SCHEMBL8215935 0.79 HDAC3 (0.41) MMP8MMP1PIK3CDMMP2MMP3
SCHEMBL24737242 0.79 MCL1 (0.36) MMP8MMP1PIK3CDMMP2MMP3
SCHEMBL20904149 0.78 PIK3CD (0.32) MMP8PIK3CD
SCHEMBL12308834 0.76 SMN1; SMN2 (0.39) PIK3CDKDM4E
SCHEMBL12308383 0.76 ALDH1A1 (0.41) PIK3CDKDM4EEGLN1
SCHEMBL12308836 0.76 PIK3CD (0.39) MMP8PIK3CDFPR2
SCHEMBL12308380 0.75 ALDH1A1 (0.32) MMP8PIK3CDKDM4E
SCHEMBL12335222 0.75 PIK3CD (0.31) MMP8PIK3CD

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2009036020-A1 MEK INHIBITORS CONTAINING A ZINC BINDING MOIETY CURIS, INC. (US) 2009-03-19 WO disclosed