SCHEMBL7411594

SCHEMBL7411594

CC(C)CC(CC(=O)NO)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCCO

nearest known ligand 0.82

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MMP1 P03956 14/20 0.82
MMP2 P08253 8/20 0.82
MMP8 P22894 8/20 0.82
MMP9 P14780 7/20 0.82
MMP7 P09237 2/20 0.81
ADAM10 O14672 1/20 0.80
ADAM12 O43184 1/20 0.80
ADAMTS4 O75173 1/20 0.80
MMP3 P08254 1/20 0.80
MMP12 P39900 1/20 0.80
MMP13 P45452 1/20 0.80
MMP14 P50281 1/20 0.80
MMP15 P51511 1/20 0.80
MMP16 P51512 1/20 0.80
ADAM17 P78536 1/20 0.80
ADAM9 Q13443 1/20 0.80
MMP26 Q9NRE1 1/20 0.80
MMP17 Q9ULZ9 1/20 0.80
ADAMTS5 Q9UNA0 1/20 0.80

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
SCHEMBL5060570 0.91 MMP2 (0.83) MMP1MMP2MMP8MMP9MMP7
SCHEMBL7408047 0.90 MMP1 (1.00) MMP1MMP2MMP8MMP9MMP7
SCHEMBL6016080 0.89 MMP1 (0.86) MMP1MMP2MMP8MMP9MMP7
SCHEMBL13059991 0.89 MMP1 (0.86) MMP1MMP2MMP8MMP9MMP7
SCHEMBL3789890 0.89 MMP1 (0.86) MMP1MMP2MMP8MMP9MMP7
Ilomastat SCHEMBL8190117 0.89 MMP2 (1.00) MMP1MMP2MMP8MMP9MMP7
Ilomastat SCHEMBL13575799 0.89 MMP2 (1.00) MMP1MMP2MMP8MMP9MMP7
Ilomastat SCHEMBL4293696 0.89 MMP2 (1.00) MMP1MMP2MMP8MMP9MMP7
Ilomastat SCHEMBL29412562 0.89 MMP2 (1.00) MMP1MMP2MMP8MMP9MMP7
Ilomastat SCHEMBL35303 0.89 MMP2 (1.00) MMP1MMP2MMP8MMP9MMP7

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-0690841-A4 SYNTHETIC MATRIX METALLOPROTEASE INHIBITORS AND USES THEREOF GLYCOMED INC (US) 1996-03-13 EP disclosed
EP-0690841-A1 SYNTHETIC MATRIX METALLOPROTEASE INHIBITORS AND USES THEREOF GLYCOMED INCORPORATED (US) 1996-01-10 EP disclosed
WO-1995019965-A1 SYNTHETIC MATRIX METALLOPROTEASE INHIBITORS AND USES THEREOF GLYCOMED INCORPORATED (US) 1995-07-27 WO disclosed