SCHEMBL4563797

SCHEMBL4563797

Cc1cc(COc2ccc(C(=O)N[C@H]3COC[C@]34NC(=O)NC4=O)cc2)c2ccccc2n1

nearest known ligand 0.80

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
MMP13 P45452 3/20 0.80
MMP2 P08253 1/20 0.66
MMP12 P39900 3/20 0.63
ADAM17 P78536 2/20 0.62

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
SCHEMBL4053273 1.00 MMP13 (0.80) MMP13MMP2MMP12ADAM17
SCHEMBL4053281 1.00 MMP13 (0.80) MMP13MMP2MMP12ADAM17
SCHEMBL4057212 0.92 MMP13 (0.71) MMP13MMP2MMP12ADAM17
SCHEMBL4057218 0.92 MMP13 (0.71) MMP13MMP2MMP12ADAM17
SCHEMBL4563778 0.92 MMP13 (0.73) MMP13MMP2MMP12ADAM17
SCHEMBL4051699 0.92 MMP13 (0.73) MMP13MMP2MMP12ADAM17
SCHEMBL4051704 0.92 MMP13 (0.73) MMP13MMP2MMP12ADAM17
SCHEMBL3973610 0.89 MMP13 (1.00) MMP13MMP2MMP12ADAM17
SCHEMBL4054827 0.88 MMP13 (0.69) MMP13MMP2MMP12ADAM17
SCHEMBL4054815 0.88 MMP13 (0.69) MMP13MMP2MMP12ADAM17

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-1397137-B1 HYDANTION DERIVATIVES AS INHIBITORS OF MATRIX METALLOPROTEINASES BRISTOL MYERS SQUIBB CO (US) 2009-10-14 EP claimed