SCHEMBL5050403

SCHEMBL5050403

CC(C(=O)NC(CCCCN)C(=O)O)N(C(=O)OCc1ccccc1)c1ccccc1

nearest known ligand 0.54

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CPB1 P15086 1/20 0.54
CPB2 Q96IY4 1/20 0.54
ECE1 P42892 2/20 0.52
ACE P12821 1/20 0.46
ITGB3 P05106 4/20 0.44
ITGA2B P08514 4/20 0.44
SIRT2 Q8IXJ6 1/20 0.44
SIRT1 Q96EB6 1/20 0.44
SIRT3 Q9NTG7 1/20 0.44
FOLH1 Q04609 1/20 0.43
MME P08473 1/20 0.43
MMP1 P03956 1/20 0.43
MMP3 P08254 1/20 0.43
TLR2 O60603 1/20 0.43

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
SCHEMBL5053418 0.84 MMP1 (0.43) CPB1CPB2ECE1MMP1MMP3
SCHEMBL1524821 0.84 CTSK (0.52) ECE1MME
SCHEMBL5055000 0.84 ERAP2 (0.45) CPB1CPB2ECE1FOLH1MME
SCHEMBL5050396 0.82 ERAP2 (0.44) CPB1CPB2ECE1FOLH1MME
SCHEMBL15135507 0.82 ERAP2 (0.44) CPB1CPB2ECE1FOLH1MME
SCHEMBL5050215 0.82 ERAP2 (0.53) CPB1CPB2ECE1MMP1MMP3
SCHEMBL28752252 0.81 LNPEP (0.46) CPB1CPB2ECE1FOLH1TLR2
SCHEMBL1711293 0.80 ERAP2 (0.43) CPB1CPB2ECE1FOLH1MME
SCHEMBL1711305 0.80 ERAP2 (0.43) CPB1CPB2ECE1FOLH1MME
SCHEMBL5049005 0.80 ERAP2 (0.43) CPB1CPB2ECE1FOLH1MME

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-100522249-C Elongated multiple spacers in activatable prodrugs SINTAGAR B V (NL) 2009-08-05 CN claimed
EP-1370298-B1 ELONGATED AND MULTIPLE SPACERS IN ACTIVATIBLE PRODRUGS SYNTARGA BV (NL) 2008-10-08 EP claimed
CN-1511044-A Elogated and multiple spacers in activatible prodrugs 2004-07-07 CN claimed
CN-100522249-C Elongated multiple spacers in activatable prodrugs SINTAGAR B V (NL) 2009-08-05 CN disclosed