SCHEMBL6681641

SCHEMBL6681641

Cc1cc(COc2ccc(C(=O)NCC(C3CCN(C(=O)OC(C)(C)C)CC3)C3NC(=O)NC3=O)cc2)c2ccccc2n1

nearest known ligand 0.67

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
MMP12 P39900 4/20 0.60
ADAM17 P78536 3/20 0.56
MMP2 P08253 2/20 0.53

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
SCHEMBL6677180 0.92 MMP2 (0.62) MMP12ADAM17MMP2
SCHEMBL4053664 0.90 MMP12 (0.61) MMP12ADAM17MMP2
SCHEMBL4056893 0.81 MMP12 (0.60) MMP12ADAM17MMP2
SCHEMBL3974718 0.81 MMP12 (0.67) MMP12ADAM17MMP2
SCHEMBL4050014 0.80 MMP13 (0.59) MMP12ADAM17MMP2
SCHEMBL6700688 0.79 MMP13 (0.42) MMP12ADAM17
SCHEMBL4443470 0.78 ADAM17 (0.57) MMP12ADAM17MMP2
SCHEMBL4048823 0.78 MMP12 (0.56) MMP12ADAM17MMP2
SCHEMBL3968876 0.78 MMP12 (0.84) MMP12ADAM17MMP2
SCHEMBL4443361 0.77 ADAM17 (0.61) MMP12ADAM17MMP2

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