SCHEMBL7362591

SCHEMBL7362591

CC(C)C(=O)N(c1n[nH]c(=S)s1)N(C(=O)OCc1ccccc1)C(=O)[C@@H](N)Cc1ccc(OCc2ccccc2)cc1

nearest known ligand 0.42

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 5/20 0.42
LAP3 P28838 1/20 0.42
MAOB P27338 1/20 0.39
LNPEP Q9UIQ6 2/20 0.38
HRAS P01112 2/20 0.38
PPARG P37231 3/20 0.38
PPARA Q07869 2/20 0.38
MMP3 P08254 2/20 0.37
MMP1 P03956 1/20 0.37

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
SCHEMBL7355861 0.80 PSMB1 (0.41) LTA4HLAP3LNPEPHRASPPARG
SCHEMBL7426285 0.80 MMP3 (0.44) MMP3MMP1
SCHEMBL7358575 0.79 PTPN1 (0.46) LTA4HLNPEPHRASPPARGMMP3
SCHEMBL7362596 0.78 LTA4H (0.40) LTA4HLAP3MAOBLNPEPPPARG
SCHEMBL7358546 0.78 LTA4H (0.41) LTA4HLAP3LNPEPPPARGPPARA
SCHEMBL8902722 0.77 MMP3 (0.46) LTA4HLNPEPMMP3MMP1
SCHEMBL7366301 0.77 MMP3 (0.47) LTA4HLNPEPMMP3MMP1
SCHEMBL7388232 0.76 MMP3 (0.47) LTA4HLAP3LNPEPMMP3MMP1
SCHEMBL7359871 0.76 MMP3 (0.44) LTA4HMMP3MMP1
SCHEMBL7394273 0.75 ITGB3 (0.44) LNPEPHRASPPARG

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