SCHEMBL7364939

SCHEMBL7364939

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

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ERAP2 Q6P179 1/20 0.40
LNPEP Q9UIQ6 1/20 0.40
ECE1 P42892 3/20 0.40
MMP3 P08254 9/20 0.39
MMP1 P03956 4/20 0.39
MMP2 P08253 1/20 0.39
MEN1 O00255 1/20 0.38
LMNA P02545 1/20 0.38
KMT2A Q03164 1/20 0.38
MME P08473 1/20 0.38
CTSL P07711 1/20 0.37
CTSB P07858 1/20 0.37
CTSS P25774 1/20 0.37
CTSK P43235 1/20 0.37
TP53 P04637 1/20 0.36
MAPT P10636 1/20 0.36
PTGDR2 Q9Y5Y4 1/20 0.36

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
SCHEMBL7361335 0.93 MMP3 (0.42) ERAP2LNPEPECE1MMP3MMP1
SCHEMBL7423322 0.90 ERAP2 (0.40) ERAP2LNPEPECE1MMP3MMP1
SCHEMBL7355861 0.90 PSMB1 (0.41) ERAP2LNPEPMMP3MMP1
SCHEMBL8894688 0.89 MMP3 (0.40) ECE1MMP3MMP1MMP2MEN1
SCHEMBL7400006 0.88 MMP3 (0.42) ERAP2LNPEPMMP3MMP1MMP2
SCHEMBL7394273 0.87 ITGB3 (0.44) ERAP2LNPEPMME
SCHEMBL7358511 0.87 MMP3 (0.41) ECE1MMP3MMP1MMP2MME
SCHEMBL7366734 0.87 LNPEP (0.40) ERAP2LNPEPECE1MMP3MMP1
SCHEMBL7364809 0.86 MMP3 (0.39) MMP3MMP1MMP2MEN1KMT2A
SCHEMBL7357732 0.85 MMP3 (0.46) ERAP2LNPEPECE1MMP3MMP1

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