SCHEMBL7358546

SCHEMBL7358546

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

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 6/20 0.41
LAP3 P28838 1/20 0.41
LNPEP Q9UIQ6 4/20 0.41
MMP3 P08254 3/20 0.38
PTPN1 P18031 1/20 0.38
PPARG P37231 2/20 0.37
PPARA Q07869 1/20 0.37
HDAC8 Q9BY41 1/20 0.37
MMP1 P03956 2/20 0.37
ERAP2 Q6P179 1/20 0.37
PSMB1 P20618 1/20 0.37
PSMB9 P28065 1/20 0.37
PSMB5 P28074 1/20 0.37
PSMB10 P40306 1/20 0.37
PSMB2 P49721 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
SCHEMBL7358535 0.94 MMP3 (0.41) MMP3PPARAMMP1
SCHEMBL7355861 0.84 PSMB1 (0.41) LTA4HLAP3LNPEPMMP3PTPN1
SCHEMBL7358575 0.83 PTPN1 (0.46) LTA4HLNPEPMMP3PTPN1PPARG
SCHEMBL7362596 0.81 LTA4H (0.40) LTA4HLAP3LNPEPMMP3PPARG
SCHEMBL7426285 0.81 MMP3 (0.44) MMP3MMP1
SCHEMBL7394273 0.79 ITGB3 (0.44) LNPEPPPARGERAP2
SCHEMBL7357685 0.79 MMP3 (0.44) MMP3MMP1
SCHEMBL7358708 0.79 MMP3 (0.42) MMP3MMP1
SCHEMBL7362591 0.78 LTA4H (0.42) LTA4HLAP3LNPEPMMP3PPARG
SCHEMBL7361335 0.78 MMP3 (0.42) LNPEPMMP3MMP1ERAP2

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