SCHEMBL6596323

SCHEMBL6596323

Cc1ccc(C)c(COc2ccc(C(=O)NC3(CC(=O)NO)CCN(C(=O)O)C(C(C)(C)C)C3)cc2)c1

nearest known ligand 0.53

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ADAM17 P78536 18/20 0.53
MMP13 P45452 1/20 0.48
ADAMTS4 O75173 1/20 0.47
MMP3 P08254 1/20 0.47
MMP10 P09238 1/20 0.47
MMP8 P22894 1/20 0.47
MMP14 P50281 1/20 0.47
MMP15 P51511 1/20 0.47
ADAMTS1 Q9UHI8 1/20 0.47
ADAMTS5 Q9UNA0 1/20 0.47

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
SCHEMBL6596668 0.86 ADAM17 (0.53) ADAM17MMP13
SCHEMBL6643952 0.82 ADAM17 (0.46) ADAM17MMP13
SCHEMBL6596319 0.81 ADAM17 (0.71) ADAM17MMP13
SCHEMBL6597717 0.78 ADAM17 (0.67) ADAM17MMP13ADAMTS4MMP3MMP10
Trifluoroacetic Acid SCHEMBL6599036 0.77 ADAM17 (0.63) ADAM17MMP13ADAMTS4MMP3MMP10
SCHEMBL7691196 0.75 ADAM17 (0.52) ADAM17MMP13
SCHEMBL6696849 0.70 ADAM17 (0.89) ADAM17MMP13ADAMTS4MMP3MMP8
SCHEMBL6592612 0.70 ADAM17 (0.82) ADAM17MMP13ADAMTS4MMP3MMP10
SCHEMBL6596874 0.69 ADAM17 (1.00) ADAM17MMP13ADAMTS4MMP3MMP8
SCHEMBL6597098 0.69 ADAM17 (0.89) ADAM17MMP13ADAMTS4MMP3MMP8

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 1 patent. 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