SCHEMBL4795667

SCHEMBL4795667

CC(C)C[C@H](CC(=O)O)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)O

nearest known ligand 0.85

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP2 P08253 11/20 0.85
MMP8 P22894 9/20 0.85
MMP9 P14780 8/20 0.85
MMP1 P03956 4/20 0.85
ECE1 P42892 5/20 0.81
ACE P12821 2/20 0.69
ADAM10 O14672 1/20 0.69
ADAM12 O43184 1/20 0.69
ADAMTS4 O75173 1/20 0.69
MMP3 P08254 1/20 0.69
MMP7 P09237 1/20 0.69
MMP12 P39900 1/20 0.69
MMP13 P45452 1/20 0.69
MMP14 P50281 1/20 0.69
MMP15 P51511 1/20 0.69
MMP16 P51512 1/20 0.69
ADAM17 P78536 1/20 0.69
ADAM9 Q13443 1/20 0.69
MMP26 Q9NRE1 1/20 0.69
MMP17 Q9ULZ9 1/20 0.69

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
SCHEMBL6575025 1.00 MMP2 (0.85) MMP2MMP8MMP9MMP1ECE1
SCHEMBL6577793 0.92 MMP2 (1.00) MMP2MMP8MMP9MMP1ECE1
SCHEMBL4845965 0.91 MMP2 (0.84) MMP2MMP8MMP9MMP1ECE1
SCHEMBL6577392 0.91 ECE1 (0.76) MMP2MMP8MMP9MMP1ECE1
SCHEMBL7371076 0.91 ECE1 (0.76) MMP2MMP8MMP9MMP1ECE1
SCHEMBL6575485 0.90 MMP1 (0.82) MMP2MMP8MMP9MMP1ECE1
SCHEMBL9068557 0.89 ECE1 (1.00) ECE1ACE
SCHEMBL4351102 0.89 MMP2 (0.84) MMP2MMP8MMP9MMP1ECE1
SCHEMBL29458410 0.89 MMP2 (0.84) MMP2MMP8MMP9MMP1ECE1
SCHEMBL7412775 0.89 MMP2 (0.84) MMP2MMP8MMP9MMP1ECE1

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-1986657-A2 METHOD OF TREATING A SUBJECT SUFFERING FROM DEGENERATIVE DISC DISEASE USING A MATRIX METALLOPROTEASE INHIBITOR Discogen, LLC (US) 2008-11-05 EP disclosed
WO-2007098099-A2 METHOD OF TREATING A SUBJECT SUFFERING FROM DEGENERATIVE DISC DISEASE USING A MATRIX METALLOPROTEASE INHIBITOR DISCOGEN, LLC (US) 2007-08-30 WO disclosed
US-5892112-A ACYLATION OF AMINO ACIDS WITH ANHYDRIDES OR CARBOXY GROUPS, AMIDATION WITH AMINE AND CONVERSION OF ACID OR ESTER TO HYDROXAMIC ACID AND HYDROLYSIS GLYCOMED INCORPORATED (US) 1999-04-06 US disclosed
US-5773438-A SKIN DISORDERS, RESTENOSIS, RHEUMATIC ARTHRITIS, WOUND HEALING AGENTS, ANGIOGENESIS, SHOCK GLYCOMED INCORPORATED (US) 1998-06-30 US disclosed
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