SCHEMBL7665779

SCHEMBL7665779

COCC(=O)N[C@H](C(=O)N1CSC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(O)C(=O)O)C(C)C

nearest known ligand 0.38

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PREP P48147 1/20 0.38
CMA1 P23946 5/20 0.37
PSMB5 P28074 1/20 0.37
CTSD P07339 1/20 0.37
KLK5 Q9Y337 1/20 0.37
ACE P12821 1/20 0.37
ACE2 Q9BYF1 1/20 0.36

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
SCHEMBL7655849 0.92 CTSD (0.46) PSMB5CTSD
SCHEMBL7661652 0.91 PREP (0.39) PREPPSMB5CTSDACE
SCHEMBL7656163 0.91 CCR1 (0.44) CMA1ACEACE2
SCHEMBL7660638 0.89 CCR1 (0.46) CMA1CTSDACEACE2
SCHEMBL7655898 0.89 ACE2 (0.46) CMA1CTSDACE2
SCHEMBL7664392 0.86 ELANE (0.47) CMA1
SCHEMBL7668192 0.86 CAPN1 (0.49) PREPCMA1CTSD
SCHEMBL7659218 0.86 CMA1 (0.52) CMA1KLK5
SCHEMBL5711388 0.85 CMA1 (0.43) CMA1PSMB5
SCHEMBL7662792 0.85 CA2 (0.40) CMA1ACEACE2

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
US-6410576-B1 ANTIINFLAMMATORY AGENTS; CARDIOVASCULAR DISORDERS SANTEN PHARMACEUTICAL CO., LTD. (JP) 2002-06-25 US disclosed