SCHEMBL7541494

SCHEMBL7541494

Cc1cc(COc2ccc(C(=O)NC3CN(C(C)C)CC3C(=O)NO)cc2)c2ccccc2n1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MMP2 P08253 5/20 0.78
MMP9 P14780 2/20 0.78
MMP3 P08254 1/20 0.75
MMP7 P09237 1/20 0.75
MMP10 P09238 1/20 0.75
MMP8 P22894 1/20 0.75
MMP12 P39900 1/20 0.75
MMP13 P45452 1/20 0.75
MMP14 P50281 1/20 0.75
ADAM17 P78536 1/20 0.75

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
SCHEMBL7541504 1.00 MMP2 (0.78) MMP2MMP9MMP3MMP7MMP10
SCHEMBL7541523 1.00 MMP2 (0.78) MMP2MMP9MMP3MMP7MMP10
SCHEMBL5897893 1.00 MMP2 (0.78) MMP2MMP9MMP3MMP7MMP10
SCHEMBL5897834 0.93 MMP2 (0.73) MMP2MMP9
SCHEMBL5897792 0.93 MMP2 (0.73) MMP2MMP9
SCHEMBL5898237 0.90 MMP2 (0.85) MMP2MMP9MMP3MMP7MMP10
SCHEMBL5898448 0.89 MMP2 (0.82) MMP2MMP9MMP3MMP7MMP10
Trifluoroacetic Acid SCHEMBL5898368 0.89 MMP2 (0.67) MMP2MMP9
Trifluoroacetic Acid SCHEMBL5897817 0.89 MMP2 (0.67) MMP2MMP9
SCHEMBL5898220 0.89 MMP2 (0.80) MMP2MMP9MMP3MMP7MMP10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1263755-A2 CYCLIC BETA-AMINO ACID DERIVATIVES AS INHIBITORS OF MATRIX METALLOPROTEASES AND TNF-ALPHA Bristol-Myers Squibb Pharma Company (US) 2002-12-11 EP claimed
WO-2001070673-A2 CYCLIC β-AMINO ACID DERIVATIVES AS INHIBITORS OF MATRIX METALLOPROTEASES AND TNF-$g(a) BRISTOL-MYERS SQUIBB PHARMA COMPANY (US) 2001-09-27 WO claimed