SCHEMBL5176509

SCHEMBL5176509

[N-]=[N+]=CC(=O)CC[C@H](N)C(=O)N(CC(=O)O)C(=O)OCc1ccccc1

nearest known ligand 0.39

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TGM2 P21980 2/20 0.39
F13A1 P00488 1/20 0.39
TGM1 P22735 1/20 0.39
SLC1A1 P43005 2/20 0.39
SLC1A3 P43003 1/20 0.39
CYP1A2 P05177 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
CTSB P07858 1/20 0.37
LTA4H P09960 7/20 0.36
SLC15A1 P46059 2/20 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
SCHEMBL7617734 0.93 TGM2 (0.39) TGM2F13A1TGM1SLC1A1SLC1A3
SCHEMBL30259536 0.84 LTA4H (0.41) SLC1A1SLC1A3LTA4HSLC15A1
SCHEMBL36612 0.84 LTA4H (0.41) SLC1A1SLC1A3LTA4HSLC15A1
SCHEMBL7314530 0.79 SLC15A1 (0.51) SLC1A1SLC1A3LTA4HSLC15A1
SCHEMBL7314517 0.79 SLC15A1 (0.51) SLC1A1SLC1A3LTA4HSLC15A1
SCHEMBL26940361 0.78 TGM2 (0.44) TGM2F13A1TGM1SLC1A1SLC1A3
SCHEMBL5178314 0.78 CTSB (0.39) TGM2F13A1TGM1SLC1A1SLC1A3
SCHEMBL6671876 0.77 SLC15A1 (0.43) SLC1A1SLC1A3CYP1A2CYP2C9CYP2C19
SCHEMBL10908162 0.76 ANPEP (0.45) SLC1A1SLC1A3CTSBSLC15A1
SCHEMBL7619831 0.74 SLC15A1 (0.39) SLC1A1SLC1A3LTA4HSLC15A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1602719-B1 Control of transglutaminase catalyzed protein modification by selective irreversible transglutaminase inhibitors N ZYME BIOTEC GMBH (DE) 2007-06-06 EP claimed
EP-1602719-A1 Control of transglutaminase catalyzed protein modification by selective irreversible transglutaminase inhibitors N-Zyme BioTec GmbH (DE) 2005-12-07 EP claimed
EP-1600504-A1 Control of transglutaminase catalyzed protein modification by selective irreversible transglutaminase inhibitors N-Zyme BioTec GmbH (DE) 2005-11-30 EP claimed
EP-1602719-B1 Control of transglutaminase catalyzed protein modification by selective irreversible transglutaminase inhibitors N ZYME BIOTEC GMBH (DE) 2007-06-06 EP disclosed
EP-1602719-A1 Control of transglutaminase catalyzed protein modification by selective irreversible transglutaminase inhibitors N-Zyme BioTec GmbH (DE) 2005-12-07 EP disclosed
EP-1600504-A1 Control of transglutaminase catalyzed protein modification by selective irreversible transglutaminase inhibitors N-Zyme BioTec GmbH (DE) 2005-11-30 EP disclosed