SCHEMBL6596282

SCHEMBL6596282

COC(=O)[C@H](C)N1CCC(CC(=O)NO)(NC(=O)c2ccc(OCc3cc(C)nc4ccccc34)cc2)CC1

nearest known ligand 0.81

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ADAM17 P78536 19/20 0.81
MMP13 P45452 1/20 0.75
ADAMTS4 O75173 2/20 0.73
MMP3 P08254 2/20 0.73
MMP7 P09237 2/20 0.73
ADAMTS1 Q9UHI8 2/20 0.73
ADAMTS5 Q9UNA0 2/20 0.73
MMP8 P22894 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
SCHEMBL6597781 0.94 ADAM17 (0.83) ADAM17MMP13ADAMTS4MMP3MMP7
SCHEMBL6595629 0.92 ADAM17 (0.85) ADAM17MMP13ADAMTS4MMP3MMP7
SCHEMBL6597969 0.90 ADAM17 (0.81) ADAM17MMP13ADAMTS4MMP3MMP7
SCHEMBL6595619 0.89 ADAM17 (0.80) ADAM17MMP13ADAMTS4MMP3MMP7
SCHEMBL6595287 0.89 ADAM17 (1.00) ADAM17MMP13ADAMTS4MMP3MMP7
SCHEMBL6595830 0.88 ADAM17 (1.00) ADAM17MMP13ADAMTS4MMP3MMP7
SCHEMBL6597140 0.88 ADAM17 (0.84) ADAM17MMP13
SCHEMBL6598125 0.88 ADAM17 (0.87) ADAM17MMP13ADAMTS4MMP3MMP7
SCHEMBL6696849 0.88 ADAM17 (0.89) ADAM17MMP13ADAMTS4MMP3MMP7
SCHEMBL6596874 0.87 ADAM17 (1.00) ADAM17MMP13ADAMTS4MMP3MMP7

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-1263756-B1 BETA-AMINO ACID DERIVATIVES AS INHIBITORS OF MATRIX METALLOPROTEASES AND TNF-ALPHA BRISTOL MYERS SQUIBB PHARMA CO (US) 2004-02-25 EP claimed
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