SCHEMBL6060000

SCHEMBL6060000

CCOC(=O)C(Cc1cnc(NC(=O)OC(C)(C)C)c(Cl)c1)C(=O)O

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CPB2 Q96IY4 2/20 0.39
PPARG P37231 2/20 0.39
L3MBTL1 Q9Y468 2/20 0.38
MKNK2 Q9HBH9 1/20 0.38
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
ALDH1A1 P00352 3/20 0.37
PKM P14618 2/20 0.37
MAPT P10636 2/20 0.37
KDM4E B2RXH2 1/20 0.37
GAA P10253 1/20 0.37
HPGD P15428 1/20 0.37
ALOX12 P18054 1/20 0.37
MMP8 P22894 1/20 0.36
TP53 P04637 1/20 0.36
STK17B O94768 1/20 0.35
STK17A Q9UEE5 1/20 0.35
LMNA P02545 1/20 0.35
PPARA Q07869 1/20 0.35
TDP1 Q9NUW8 1/20 0.35

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
SCHEMBL6059446 0.96 CPB2 (0.41) CPB2PPARGL3MBTL1MKNK2MEN1
Malonic Acid Diethyl Ester SCHEMBL7380709 0.92 L3MBTL1 (0.41) CPB2PPARGL3MBTL1MKNK2MEN1
SCHEMBL6059454 0.88 MEN1 (0.35) CPB2PPARGL3MBTL1MKNK2MEN1
SCHEMBL6058628 0.87 PPARG (0.39) PPARGL3MBTL1MKNK2ALDH1A1PKM
SCHEMBL6058861 0.82 CPB2 (0.42) CPB2PPARGL3MBTL1MKNK2MEN1
SCHEMBL6058797 0.82 PPARG (0.36) CPB2PPARGL3MBTL1MKNK2ALDH1A1
SCHEMBL6059170 0.79 NAMPT (0.43) CPB2PPARGMKNK2ALDH1A1PKM
SCHEMBL6059152 0.79 STK17B (0.42) L3MBTL1MEN1KMT2AALDH1A1MAPT
Malonic Acid Diethyl Ester SCHEMBL7380431 0.79 PPARG (0.36) CPB2PPARGL3MBTL1MKNK2ALDH1A1
SCHEMBL6059420 0.79 L3MBTL1 (0.38) PPARGL3MBTL1MKNK2MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7071175-B1 Pyridine mercapto carboxylic acids as carboxypeptidase U inhibitors ASTRAZENECA AB (SE) 2006-07-04 US disclosed
EP-1180098-A1 NEW COMPOUNDS AstraZeneca AB (SE) 2002-02-20 EP disclosed
WO-2000066557-A1 NEW COMPOUNDS ASTRAZENECA AB (SE) 2000-11-09 WO disclosed