SCHEMBL8468208

SCHEMBL8468208

CC(C)(C)OC(=O)C[C@@H](CCCCNCCCC=O)C(=O)N[C@@H](Cc1ccccc1)C(=O)O

nearest known ligand 0.46

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
BIRC2 Q13490 1/20 0.46
MMP2 P08253 11/20 0.46
MMP1 P03956 10/20 0.46
MMP3 P08254 10/20 0.46
MMP8 P22894 2/20 0.44
ACE P12821 1/20 0.44
MMP9 P14780 2/20 0.44
MMP7 P09237 2/20 0.43

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
SCHEMBL8828156 0.93 MMP2 (0.56) MMP2MMP1MMP3MMP8MMP9
SCHEMBL8828124 0.85 MMP2 (0.58) MMP2MMP1MMP3MMP8MMP9
SCHEMBL6294116 0.85 MMP2 (0.62) BIRC2MMP2MMP1MMP3ACE
SCHEMBL8469705 0.82 MMP2 (0.50) BIRC2MMP2MMP1MMP3ACE
SCHEMBL8652734 0.81 MMP2 (0.70) MMP2MMP1MMP3MMP8MMP9
SCHEMBL2638760 0.78 MMP3 (0.73) MMP2MMP1MMP3MMP8MMP9
SCHEMBL8828135 0.77 MMP3 (0.72) MMP2MMP1MMP3MMP8MMP9
SCHEMBL8828145 0.77 MMP2 (0.61) MMP2MMP1MMP3MMP8MMP9
SCHEMBL8055025 0.77 MMP2 (0.77) MMP2MMP1MMP3MMP8MMP9
SCHEMBL8828128 0.75 MMP1 (0.72) MMP2MMP1MMP3MMP8MMP9

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-0749302-A4 HYDROXAMIC ACID AND CARBOXYLIC ACID DERIVATIVES, PROCESS FOR THEIR PREPARATION AND USE THEREOF SANOFI WINTHROP INC (US) 1999-08-25 EP disclosed
EP-0749302-A1 HYDROXAMIC ACID AND CARBOXYLIC ACID DERIVATIVES, PROCESS FOR THEIR PREPARATION AND USE THEREOF SANOFI WINTHROP, INC. (US) 1996-12-27 EP disclosed
WO-1995022966-A1 HYDROXAMIC ACID AND CARBOXYLIC ACID DERIVATIVES, PROCESS FOR THEIR PREPARATION AND USE THEREOF SANOFI WINTHROP, INC. (US) 1995-08-31 WO disclosed