SCHEMBL7590569

SCHEMBL7590569

CC(C)C[C@H](CC(=O)NO)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCCCN1CCOCC1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
MMP2 P08253 9/20 1.00
MMP8 P22894 9/20 1.00
MMP9 P14780 8/20 1.00
MMP1 P03956 12/20 0.84
MMP7 P09237 1/20 0.73

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
SCHEMBL7408047 0.84 MMP1 (1.00) MMP2MMP8MMP9MMP1MMP7
SCHEMBL7411594 0.84 MMP1 (0.82) MMP2MMP8MMP9MMP1MMP7
SCHEMBL3789890 0.84 MMP1 (0.86) MMP2MMP8MMP9MMP1MMP7
SCHEMBL6016080 0.84 MMP1 (0.86) MMP2MMP8MMP9MMP1MMP7
SCHEMBL13059991 0.84 MMP1 (0.86) MMP2MMP8MMP9MMP1MMP7
SCHEMBL9289926 0.83 MMP1 (1.00) MMP2MMP8MMP9MMP1MMP7
SCHEMBL5060570 0.82 MMP2 (0.83) MMP2MMP8MMP9MMP1MMP7
SCHEMBL7848686 0.82 MMP2 (0.69) MMP2MMP8MMP9MMP1
SCHEMBL10021285 0.82 MMP1 (0.79) MMP2MMP8MMP9MMP1MMP7
Ilomastat SCHEMBL8190117 0.80 MMP2 (1.00) MMP2MMP8MMP9MMP1MMP7

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