SCHEMBL7388232

SCHEMBL7388232

N[C@@H](Cc1ccc(OCc2ccccc2)cc1)C(=O)N(CC(=O)Nc1n[nH]c(=S)s1)C(=O)OCc1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
MMP3 P08254 16/20 0.47
MMP1 P03956 9/20 0.46
MMP2 P08253 1/20 0.42
LTA4H P09960 2/20 0.41
LAP3 P28838 1/20 0.41
LNPEP Q9UIQ6 1/20 0.39

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
SCHEMBL7366301 0.88 MMP3 (0.47) MMP3MMP1MMP2LTA4HLNPEP
SCHEMBL7395690 0.87 MMP3 (0.47) MMP3MMP1MMP2LNPEP
SCHEMBL8902722 0.83 MMP3 (0.46) MMP3MMP1MMP2LTA4HLNPEP
SCHEMBL7359871 0.82 MMP3 (0.44) MMP3MMP1MMP2LTA4H
SCHEMBL7358596 0.81 MMP3 (0.46) MMP3MMP1MMP2LTA4HLAP3
SCHEMBL7431835 0.79 MMP3 (0.51) MMP3MMP1MMP2
SCHEMBL8895406 0.78 MMP3 (0.52) MMP3MMP1MMP2
SCHEMBL7361471 0.77 MMP3 (0.45) MMP3MMP1MMP2LNPEP
SCHEMBL7362591 0.76 LTA4H (0.42) MMP3MMP1LTA4HLAP3LNPEP
SCHEMBL7358551 0.75 MMP3 (0.56) MMP3MMP1MMP2

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0845002-A2 AMINO ACID AMIDES OF 5-AMINO-1,3,4-THIADIAZONES AND THEIR USE AS INHIBITORS FOR MATRIX METALLOPROTEINASES PROSCRIPT, INC. (US) 1998-06-03 EP disclosed
US-5677282-A ENZYME INHIBITOR; OSTEOARTHRITIS AND RHEUMATIC DISORDERS PROSCRIPT, INC. (US) 1997-10-14 US disclosed
WO-1996040745-A2 AMINO ACID AMIDES OF 5-AMINO-1,3,4-THIADIAZONES AND THEIR USE AS INHIBITORS FOR MATRIX METALLOPROTEINASES PROSCRIPT, INC. (US) 1996-12-19 WO disclosed