SCHEMBL7303916

SCHEMBL7303916

NC(=NC(=O)[C@@H](Cc1ccccc1)NC(=O)OCc1ccccc1)N(CCC[C@H](N)C(=O)O)C(=O)OCc1ccccc1

nearest known ligand 0.52

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CTSL P07711 3/20 0.52
ITGB3 P05106 5/20 0.45
ITGA2B P08514 5/20 0.45
TACR1 P25103 2/20 0.44
CTSB P07858 2/20 0.43
CTSS P25774 2/20 0.43
CTSK P43235 2/20 0.43
F2 P00734 1/20 0.42
PRSS1 P07477 1/20 0.42
PRSS2 P07478 1/20 0.42
PRSS3 P35030 1/20 0.42
ALDH1A1 P00352 1/20 0.42
ALOX15 P16050 1/20 0.42
OPRK1 P41145 1/20 0.42

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
SCHEMBL29398620 0.84 CTSL (0.51) CTSLITGB3ITGA2BCTSS
SCHEMBL7355009 0.84 CTSL (0.51) CTSLITGB3ITGA2BCTSS
SCHEMBL7304357 0.81 SLC15A1 (0.36) CTSL
SCHEMBL8216035 0.80 CTSL (0.49) CTSLITGB3ITGA2BTACR1CTSB
SCHEMBL9658435 0.78 SLC1A1 (0.44) CTSL
SCHEMBL7296919 0.78 LTA4H (0.38) CTSL
SCHEMBL9817992 0.78 CTSL (0.69) CTSLITGB3ITGA2BTACR1CTSS
SCHEMBL8203294 0.77 CTSL (0.44) CTSLITGB3ITGA2BF2
SCHEMBL7296710 0.77 NOS3 (0.47) CTSL
SCHEMBL29913526 0.76 CTSL (0.53) CTSLITGB3ITGA2BTACR1CTSB

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-0526877-A2 Peptide aldehydes as antithrombotic agents Bristol-Myers Squibb Company (US) 1993-02-10 EP claimed