SCHEMBL6575260

SCHEMBL6575260

COC(=O)CC(CC(C)C)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)O.NC(=O)N1CCCCC1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP2 P08253 13/20 0.66
MMP9 P14780 11/20 0.66
MMP8 P22894 11/20 0.66
ECE1 P42892 5/20 0.62
MMP1 P03956 5/20 0.58
ADAM10 O14672 1/20 0.54
ADAM12 O43184 1/20 0.54
ADAMTS4 O75173 1/20 0.54
MMP3 P08254 1/20 0.54
MMP7 P09237 1/20 0.54
MMP12 P39900 1/20 0.54
MMP13 P45452 1/20 0.54
MMP14 P50281 1/20 0.54
MMP15 P51511 1/20 0.54
MMP16 P51512 1/20 0.54
ADAM17 P78536 1/20 0.54
ADAM9 Q13443 1/20 0.54
MMP26 Q9NRE1 1/20 0.54
MMP17 Q9ULZ9 1/20 0.54
ADAMTS5 Q9UNA0 1/20 0.54

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
SCHEMBL7371076 0.89 ECE1 (0.76) MMP2MMP9MMP8ECE1MMP1
SCHEMBL6577392 0.89 ECE1 (0.76) MMP2MMP9MMP8ECE1MMP1
SCHEMBL6435290 0.89 ECE1 (0.64) MMP2MMP9MMP8ECE1MMP1
SCHEMBL8651238 0.88 MMP2 (0.73) MMP2MMP9MMP8ECE1MMP1
SCHEMBL6578096 0.81 MMP2 (0.82) MMP2MMP9MMP8MMP1ADAM10
SCHEMBL851449 0.81 MMP2 (0.82) MMP2MMP9MMP8MMP1ADAM10
SCHEMBL6575025 0.81 MMP2 (0.85) MMP2MMP9MMP8ECE1MMP1
SCHEMBL4795667 0.81 MMP2 (0.85) MMP2MMP9MMP8ECE1MMP1
SCHEMBL8527775 0.81 ECE1 (0.65) ECE1
SCHEMBL8527781 0.81 ECE1 (0.65) ECE1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0558648-B1 IMPROVED MATRIX METALLOPROTEASE INHIBITORS GALARDY RICHARD E (US) 2004-04-28 EP disclosed
EP-0663823-B1 INHIBITION OF ANGIOGENESIS BY SYNTHETIC MATRIX METALLOPROTEASE INHIBITORS GLYCOMED INC (US) 2000-11-22 EP disclosed
EP-0558681-B1 TREATMENT FOR TISSUE ULCERATION UNIV FLORIDA (US) 1998-04-08 EP disclosed
EP-0558635-B1 IMPROVED MATRIX METALLOPROTEASE INHIBITORS GLYCOMED INC (US) 1997-09-10 EP disclosed
EP-0558635-A4 IMPROVED MATRIX METALLOPROTEASE INHIBITORS 1993-11-24 EP disclosed
EP-0558635-A1 IMPROVED MATRIX METALLOPROTEASE INHIBITORS. GLYCOMED INC (US) 1993-09-08 EP disclosed
WO-1992009563-A1 IMPROVED MATRIX METALLOPROTEASE INHIBITORS GLYCOMED, INC. (US) 1992-06-11 WO disclosed