SCHEMBL7313552

SCHEMBL7313552

CC(=Cc1ccc(C(=O)Oc2ccc(C(=N)N)cc2)cc1)C(=O)N[C@@H](CCC(=O)O)C(=O)O

nearest known ligand 0.59

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
PRSS1 P07477 18/20 0.59
TMPRSS15 P98073 15/20 0.59
F2 P00734 4/20 0.54
KLK1 P06870 4/20 0.54

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
SCHEMBL3240172 1.00 PRSS1 (0.59) PRSS1TMPRSS15F2KLK1
SCHEMBL7306248 1.00 PRSS1 (0.59) PRSS1TMPRSS15F2KLK1
SCHEMBL7314636 1.00 PRSS1 (0.59) PRSS1TMPRSS15F2KLK1
SCHEMBL7304451 0.94 PRSS1 (0.57) PRSS1TMPRSS15F2KLK1
SCHEMBL7304457 0.94 PRSS1 (0.57) PRSS1TMPRSS15F2KLK1
SCHEMBL7305330 0.94 PRSS1 (0.56) PRSS1TMPRSS15F2KLK1
SCHEMBL7305343 0.94 PRSS1 (0.56) PRSS1TMPRSS15F2KLK1
Butane SCHEMBL3238160 0.92 PRSS1 (0.56) PRSS1TMPRSS15F2KLK1
Butane SCHEMBL3238792 0.92 PRSS1 (0.56) PRSS1TMPRSS15F2KLK1
SCHEMBL3238646 0.91 PRSS1 (0.53) PRSS1TMPRSS15F2KLK1

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-0634396-B1 Amino acid derivatives and their use as inhibitors of encephalinase BIOPROJET SOC CIV (FR) 1998-10-28 EP claimed