SCHEMBL7360919

SCHEMBL7360919

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

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.55
KMT2A Q03164 2/20 0.55
LMNA P02545 1/20 0.55
CTSB P07858 3/20 0.55
CTSL P07711 1/20 0.55
CTSS P25774 1/20 0.55
MMP3 P08254 8/20 0.50
MMP1 P03956 4/20 0.50
CASP3 P42574 4/20 0.49
CTSK P43235 2/20 0.49
CASP1 P29466 2/20 0.47
CASP9 P55211 2/20 0.47
CASP6 P55212 2/20 0.47
CASP8 Q14790 2/20 0.47
CASP7 P55210 1/20 0.47
MMP2 P08253 1/20 0.47
CASP4 P49662 1/20 0.47
CASP5 P51878 1/20 0.47
CASP10 Q92851 1/20 0.47
MME P08473 1/20 0.47

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
SCHEMBL7360914 1.00 MEN1 (0.55) MEN1KMT2ALMNACTSBCTSL
SCHEMBL8708271 0.95 MEN1 (0.60) MEN1KMT2ALMNACTSBCTSL
SCHEMBL6962422 0.95 MEN1 (0.60) MEN1KMT2ALMNACTSBCTSL
SCHEMBL6968692 0.93 MMP3 (0.56) CTSLCTSSMMP3MMP1CASP3
SCHEMBL6968687 0.93 MMP3 (0.56) CTSLCTSSMMP3MMP1CASP3
SCHEMBL7361337 0.87 MMP3 (0.64) MMP3MMP1MMP2
SCHEMBL7361333 0.87 MMP3 (0.64) MMP3MMP1MMP2
SCHEMBL7365921 0.86 CTSK (0.59) CTSBCTSLCTSSMMP3MMP1
SCHEMBL7364811 0.86 CTSK (0.59) CTSBCTSLCTSSMMP3MMP1
SCHEMBL7357736 0.85 MMP3 (0.65) CTSBCTSLCTSSMMP3MMP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-1998025949-A1 SUBSTITUTED 5-AMINO-1,3,4-THIADIAZOLE-2-THIONES PROSCRIPT, INC. (US) 1998-06-18 WO disclosed
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