SCHEMBL12513992

SCHEMBL12513992

C[C@H](NC(=O)[C@@H](COC(C)(C)C)NS(=O)(=O)Cc1ccccc1)C(=O)O

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SLC1A3 P43003 1/20 0.43
SLC1A2 P43004 1/20 0.43
SLC1A1 P43005 1/20 0.43
LTA4H P09960 3/20 0.43
MME P08473 2/20 0.43
CTSL P07711 1/20 0.42
CTSS P25774 1/20 0.42
CTSK P43235 1/20 0.42
ITGB3 P05106 1/20 0.41
ITGA2B P08514 1/20 0.41
MEN1 O00255 1/20 0.41
ALDH1A1 P00352 1/20 0.41
HTT P42858 1/20 0.41
KMT2A Q03164 1/20 0.41
ACE P12821 3/20 0.40
ANPEP P15144 1/20 0.40
ECE1 P42892 1/20 0.40
STS P08842 1/20 0.40

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
SCHEMBL14542772 1.00 SLC1A3 (0.43) SLC1A3SLC1A2SLC1A1LTA4HMME
SCHEMBL14472554 0.91 MAPT (0.44) SLC1A3SLC1A2SLC1A1CTSLCTSS
SCHEMBL17366090 0.87 SLC1A3 (0.50) SLC1A3SLC1A2SLC1A1ITGB3ITGA2B
SCHEMBL14542658 0.84 ADAMTS4 (0.50) CTSLCTSSCTSKALDH1A1HTT
SCHEMBL6830160 0.83 SLC1A3 (0.49) SLC1A3SLC1A2SLC1A1LTA4HMME
SCHEMBL16821240 0.83 SLC1A3 (0.49) SLC1A3SLC1A2SLC1A1LTA4HMME
SCHEMBL6092218 0.83 LTA4H (0.54) LTA4HMMEITGB3ITGA2BACE
SCHEMBL14542796 0.82 POLB (0.47) SLC1A3SLC1A2SLC1A1CTSLCTSS
SCHEMBL14542585 0.80 SLC1A3 (0.46) SLC1A3SLC1A2SLC1A1ITGB3ITGA2B
SCHEMBL29613221 0.77 SLC1A3 (0.57) SLC1A3SLC1A2SLC1A1LTA4HMME

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1808440-B1 Non-covalent inhibitors of urokinase and blood vessel formation WILEX AG (DE) 2011-07-27 EP disclosed
EP-1808440-A1 Non-covalent inhibitors of urokinase and blood vessel formation Wilex AG (DE) 2007-07-18 EP disclosed