SCHEMBL8861653

SCHEMBL8861653

O=C(N[C@@H](Cc1c[nH]c2ccccc12)C(=O)O)C(CS)Cc1ccc2c(c1)OCO2

nearest known ligand 0.77

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ECE1 P42892 1/20 0.64
ACE P12821 1/20 0.60
MMP2 P08253 1/20 0.59
MMP9 P14780 1/20 0.59
MMP8 P22894 1/20 0.59
MME P08473 1/20 0.58
LTA4H P09960 1/20 0.58

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
SCHEMBL6170248 0.87 ECE1 (0.62) ECE1ACE
SCHEMBL6169075 0.86 ECE1 (0.77) ECE1ACEMMELTA4H
SCHEMBL6169067 0.86 ECE1 (0.77) ECE1ACEMMELTA4H
SCHEMBL6169688 0.86 ECE1 (0.77) ECE1ACEMMELTA4H
SCHEMBL6169693 0.86 ECE1 (0.77) ECE1ACEMMELTA4H
SCHEMBL6171226 0.85 ECE1 (0.73) ECE1ACEMMELTA4H
SCHEMBL6170852 0.85 ECE1 (0.73) ECE1ACEMMELTA4H
SCHEMBL6171492 0.85 ECE1 (0.73) ECE1ACEMMELTA4H
SCHEMBL6162600 0.85 MME (0.66) ACEMME
SCHEMBL8693644 0.84 MME (0.58) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0419327-B1 Amino acid derivatives, method for their preparation and their therapeutic application BIOPROJET SOC CIV (FR) 1994-07-27 EP claimed
US-5599951-A ENZYME INHIBITORS SOCIETE CIVILE BIOPROJET (FR) 1997-02-04 US disclosed