SCHEMBL4445552

SCHEMBL4445552

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

nearest known ligand 0.72

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
MMP1 P03956 1/20 0.59
MMP2 P08253 1/20 0.59
MMP9 P14780 1/20 0.59
MMP13 P45452 1/20 0.59
ADAM17 P78536 1/20 0.58
MMP12 P39900 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
SCHEMBL4556617 0.84 MMP1 (0.74) MMP1MMP2MMP9MMP13
SCHEMBL4050807 0.84 MMP1 (0.74) MMP1MMP2MMP9MMP13
SCHEMBL4050802 0.84 MMP1 (0.74) MMP1MMP2MMP9MMP13
SCHEMBL4049378 0.83 MMP2 (0.78) MMP1MMP2MMP9MMP13
SCHEMBL4055856 0.81 MMP12 (0.69) ADAM17MMP12
SCHEMBL4564463 0.81 MMP12 (0.69) ADAM17MMP12
SCHEMBL4055859 0.81 MMP12 (0.69) ADAM17MMP12
SCHEMBL4059280 0.81 MMP1 (0.65) MMP1MMP2MMP9MMP13
SCHEMBL4059274 0.81 MMP1 (0.65) MMP1MMP2MMP9MMP13
SCHEMBL4445556 0.79 MMP2 (0.49) MMP1MMP2MMP9MMP13

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