SCHEMBL7698281

SCHEMBL7698281

CCOC(=O)CC(CCC(C)C)(C(=O)OCC)C(=O)OCC

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
MMP8 P22894 1/20 0.39
GAA P10253 2/20 0.38
MGAM O43451 1/20 0.38
SI P14410 1/20 0.38
MGAM2 Q2M2H8 1/20 0.38
HTT P42858 2/20 0.36
HPGD P15428 1/20 0.36
ALDH1A1 P00352 3/20 0.35
CYP1A2 P05177 2/20 0.35
LMNA P02545 1/20 0.35
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
TRPA1 O75762 1/20 0.35
L3MBTL1 Q9Y468 2/20 0.35
CYP4F2 P78329 2/20 0.34
CYP4A11 Q02928 2/20 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
SCHEMBL234357 0.87 MEN1 (0.53) MEN1KMT2AMMP8GAAMGAM
SCHEMBL28125259 0.86 MEN1 (0.42) MEN1KMT2AMMP8HTTHPGD
SCHEMBL7781952 0.84 MMP8 (0.50) MEN1KMT2AMMP8GAAMGAM
SCHEMBL28077465 0.84 MEN1 (0.46) MEN1KMT2AMMP8GAAMGAM
SCHEMBL7781947 0.82 MEN1 (0.49) MEN1KMT2AMMP8HTTHPGD
SCHEMBL14743485 0.82 MMP8 (0.49) MEN1KMT2AMMP8GAAMGAM
SCHEMBL9788191 0.82 MEN1 (0.47) MEN1KMT2AGAAMGAMSI
SCHEMBL17785936 0.81 MMP8 (0.38) MEN1KMT2AMMP8GAAMGAM
SCHEMBL10992850 0.81 GAA (0.50) MEN1KMT2AGAAMGAMSI
SCHEMBL7777122 0.79 MEN1 (0.46) MEN1KMT2AMMP8HTTHPGD

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-2002028829-A2 PEPTIDE DEFORMYLASE INHIBITORS QUESTCOR PHARMACEUTICALS, INC. (US) 2002-04-11 WO disclosed