SCHEMBL7401563

SCHEMBL7401563

Cc1cc(CCOc2ccc(C(=O)NC3(CC(=O)NO)CSC(C)C3)cc2)c2ccccc2n1

nearest known ligand 0.66

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ADAMTS4 O75173 3/20 0.66
MMP3 P08254 3/20 0.66
ADAMTS1 Q9UHI8 3/20 0.66
ADAMTS5 Q9UNA0 3/20 0.66
MMP8 P22894 2/20 0.66
MMP10 P09238 1/20 0.66
MMP14 P50281 1/20 0.66
MMP15 P51511 1/20 0.66
ADAM17 P78536 18/20 0.63
MMP7 P09237 2/20 0.61
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
SCHEMBL6597685 0.92 ADAMTS4 (0.77) ADAMTS4MMP3ADAMTS1ADAMTS5MMP8
Trifluoroacetic Acid SCHEMBL6598429 0.88 ADAMTS4 (0.71) ADAMTS4MMP3ADAMTS1ADAMTS5MMP8
SCHEMBL7398356 0.86 ADAM17 (0.67) ADAMTS4MMP3ADAMTS1ADAMTS5MMP8
SCHEMBL7401095 0.84 ADAM17 (0.71) ADAMTS4MMP3ADAMTS1ADAMTS5MMP8
SCHEMBL7399907 0.84 ADAM17 (0.85) ADAMTS4MMP3ADAMTS1ADAMTS5MMP8
SCHEMBL7401566 0.84 ADAMTS4 (0.57) ADAMTS4MMP3ADAMTS1ADAMTS5MMP8
SCHEMBL7404844 0.83 ADAM17 (0.67) ADAMTS4MMP3ADAMTS1ADAMTS5MMP8
SCHEMBL7401037 0.83 ADAMTS4 (0.73) ADAMTS4MMP3ADAMTS1ADAMTS5MMP8
SCHEMBL7404838 0.83 ADAM17 (0.67) ADAMTS4MMP3ADAMTS1ADAMTS5MMP8
SCHEMBL7399763 0.83 ADAM17 (0.77) ADAMTS4MMP3ADAMTS1ADAMTS5MMP8

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 claimed
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 claimed