SCHEMBL7378387

SCHEMBL7378387

COc1ccc(CC(CS)C(=O)N[C@](CCC(N)=O)(Nc2ccccc2)C(=O)O)cc1

nearest known ligand 0.49

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
ACE P12821 2/20 0.46
KLK7 P49862 1/20 0.39
MME P08473 2/20 0.39
POLB P06746 1/20 0.38

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
SCHEMBL7375555 0.96 ACE (0.46) ACEMME
SCHEMBL7293059 0.92 ACE (0.48) ACEMMEPOLB
SCHEMBL7293054 0.92 ACE (0.48) ACEMMEPOLB
SCHEMBL7369849 0.90 MME (0.47) ACEMME
SCHEMBL7375071 0.89 MME (0.41) ACEMME
SCHEMBL7294088 0.89 ACE (0.48) ACEMME
SCHEMBL7294083 0.89 ACE (0.48) ACEMME
SCHEMBL7374787 0.87 ACE (0.48) ACEMME
SCHEMBL7374659 0.85 MME (0.43) ACEMME
SCHEMBL7371152 0.84 MME (0.42) ACEMME

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-0341081-B1 Novel amino acid derivatives ONO PHARMACEUTICAL CO (JP) 1995-07-05 EP claimed