SCHEMBL7365474

SCHEMBL7365474

CC(C)(C)OC(=O)N(c1ccccc1)C(C(=O)Nc1n[nH]c(=S)s1)C(=O)[C@@H](N)Cc1ccc(OCc2ccccc2)cc1

nearest known ligand 0.42

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MMP3 P08254 14/20 0.42
MMP1 P03956 12/20 0.42
MMP2 P08253 4/20 0.42
MMP9 P14780 3/20 0.40
MMP8 P22894 3/20 0.40
LTA4H P09960 1/20 0.40
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
LNPEP Q9UIQ6 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
SCHEMBL7358596 0.91 MMP3 (0.46) MMP3MMP1MMP2LTA4HCA1
SCHEMBL7361471 0.79 MMP3 (0.45) MMP3MMP1MMP2LNPEP
SCHEMBL7398436 0.77 MMP1 (0.45) MMP3MMP1MMP2MMP9MMP8
SCHEMBL7395690 0.77 MMP3 (0.47) MMP3MMP1MMP2CA1CA2
SCHEMBL8902722 0.76 MMP3 (0.46) MMP3MMP1MMP2MMP9MMP8
SCHEMBL7366301 0.76 MMP3 (0.47) MMP3MMP1MMP2MMP9MMP8
SCHEMBL7359871 0.75 MMP3 (0.44) MMP3MMP1MMP2MMP9MMP8
SCHEMBL7481373 0.74 MMP3 (0.51) MMP3MMP1MMP2
SCHEMBL7388232 0.74 MMP3 (0.47) MMP3MMP1MMP2LTA4HLNPEP
SCHEMBL7365717 0.73 ACE (0.43) MMP3MMP1

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