SCHEMBL7400895

SCHEMBL7400895

Cc1cc(COc2ccc(C(=O)NCCC3(C(=O)NO)CCOCC3)cc2)c2ccccc2n1

nearest known ligand 0.71

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ADAM17 P78536 4/20 0.67
MMP3 P08254 2/20 0.67
MMP7 P09237 2/20 0.67
ADAMTS4 O75173 1/20 0.67
ADAMTS1 Q9UHI8 1/20 0.67
ADAMTS5 Q9UNA0 1/20 0.67
MMP2 P08253 4/20 0.61
MMP9 P14780 2/20 0.58
MMP12 P39900 1/20 0.57
MMP13 P45452 1/20 0.57

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
SCHEMBL6595704 0.92 ADAM17 (0.69) ADAM17MMP3MMP7ADAMTS4ADAMTS1
SCHEMBL6595866 0.85 ADAM17 (0.64) ADAM17MMP3MMP7ADAMTS4ADAMTS1
SCHEMBL7395302 0.85 ADAM17 (0.64) ADAM17MMP3MMP7ADAMTS4ADAMTS1
SCHEMBL7400562 0.85 ADAM17 (0.70) ADAM17MMP2MMP12MMP13
SCHEMBL7404234 0.84 ADAM17 (0.55) ADAM17MMP2
SCHEMBL6598271 0.83 ADAM17 (0.68) ADAM17MMP3MMP2MMP12
SCHEMBL7400898 0.82 ADAM17 (0.67) ADAM17MMP3MMP7ADAMTS4ADAMTS1
SCHEMBL6596237 0.82 ADAM17 (0.58) ADAM17MMP3MMP7ADAMTS4ADAMTS1
SCHEMBL6596288 0.82 ADAM17 (0.69) ADAM17MMP3MMP7ADAMTS4ADAMTS1
SCHEMBL6599983 0.80 ADAM17 (1.00) ADAM17MMP3MMP7ADAMTS4ADAMTS1

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-1263756-A2 BETA-AMINO ACID DERIVATIVES AS INHIBITORS OF MATRIX METALLOPROTEASES AND TNF-ALPHA Bristol-Myers Squibb Pharma Company (US) 2002-12-11 EP disclosed
WO-2001070734-A2 BETA-AMINO ACID DERIVATIVES AS INHIBITORS OF MATRIX METALLOPROTEASES AND TNF-ALPHA BRISTOL-MYERS SQUIBB PHARMA COMPANY (US) 2001-09-27 WO disclosed