SCHEMBL6680135

SCHEMBL6680135

Cc1cc(C(C)Oc2ccc(C(=O)NC(CC(=O)N3CCOCC3)C3NC(=O)NC3=O)cc2)c2ccccc2n1

nearest known ligand 0.43

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.43
PKM P14618 1/20 0.43
ADAM17 P78536 3/20 0.41
MMP13 P45452 2/20 0.39
MMP12 P39900 2/20 0.39
MMP2 P08253 3/20 0.39

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
SCHEMBL4053347 0.88 ADAM17 (0.53) ADAM17MMP13MMP12MMP2
SCHEMBL6680142 0.87 ADAM17 (0.46) ADAM17MMP13MMP12MMP2
SCHEMBL4048582 0.85 ADAM17 (0.46) KDM4EPKMADAM17MMP13MMP12
SCHEMBL6688196 0.80 MMP13 (0.43) ADAM17MMP13MMP12MMP2
SCHEMBL4056012 0.80 ADAM17 (0.53) ADAM17MMP13MMP12MMP2
SCHEMBL4050868 0.80 ADAM17 (0.53) ADAM17MMP13MMP12MMP2
SCHEMBL4049644 0.78 MMP13 (0.54) ADAM17MMP13MMP12MMP2
SCHEMBL4052521 0.77 ADAM17 (0.54) ADAM17MMP13MMP12MMP2
SCHEMBL4056043 0.74 ADAM17 (0.59) ADAM17MMP13MMP12MMP2
SCHEMBL4060595 0.73 MMP2 (0.59) ADAM17MMP13MMP12MMP2

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-1397137-A4 HYDANTION DERIVATIVES AS INHIBITORS OF MATRIX METALLOPROTEINASES BRISTOL MYERS SQUIBB CO (US) 2004-10-13 EP disclosed
EP-1397137-A1 HYDANTION DERIVATIVES AS INHIBITORS OF MATRIX METALLOPROTEINASES BRISTOL-MYERS SQUIBB COMPANY (US) 2004-03-17 EP disclosed
WO-2002096426-A1 HYDANTION DERIVATIVES AS INHIBITORS OF MATRIX METALLOPROTEINASES BRISTOL-MYERS SQUIBB COMPANY (US) 2002-12-05 WO disclosed