SCHEMBL5053418

SCHEMBL5053418

CC(C(=O)NC(CCCCN)C(=O)O)N(C(=O)OC(C)(C)C)c1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MMP1 P03956 4/20 0.43
MMP3 P08254 4/20 0.43
CPB2 Q96IY4 2/20 0.42
CPB1 P15086 1/20 0.42
MMP9 P14780 4/20 0.41
ERAP2 Q6P179 3/20 0.40
LNPEP Q9UIQ6 3/20 0.40
ERAP1 Q9NZ08 2/20 0.40
ECE1 P42892 1/20 0.40
MMP2 P08253 1/20 0.39
SSTR2 P30874 1/20 0.39
CA12 O43570 1/20 0.39
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
CA9 Q16790 1/20 0.39
ALDH1A1 P00352 1/20 0.39
TSHR P16473 1/20 0.39

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
SCHEMBL5055000 0.85 ERAP2 (0.45) MMP1MMP3CPB2CPB1MMP9
SCHEMBL5050403 0.84 CPB1 (0.54) MMP1MMP3CPB2CPB1ECE1
SCHEMBL7275108 0.84 MME (0.47) ALDH1A1
SCHEMBL5050396 0.83 ERAP2 (0.44) MMP1MMP3CPB2CPB1MMP9
SCHEMBL15135507 0.83 ERAP2 (0.44) MMP1MMP3CPB2CPB1MMP9
SCHEMBL28752252 0.82 LNPEP (0.46) CPB2CPB1MMP9ERAP2LNPEP
SCHEMBL5049005 0.81 ERAP2 (0.43) MMP1MMP3CPB2CPB1MMP9
SCHEMBL1711293 0.81 ERAP2 (0.43) MMP1MMP3CPB2CPB1MMP9
SCHEMBL1711305 0.81 ERAP2 (0.43) MMP1MMP3CPB2CPB1MMP9
SCHEMBL5050215 0.78 ERAP2 (0.53) MMP1MMP3CPB2CPB1ERAP2

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
EP-1370298-B1 ELONGATED AND MULTIPLE SPACERS IN ACTIVATIBLE PRODRUGS SYNTARGA BV (NL) 2008-10-08 EP claimed