SCHEMBL6700679

SCHEMBL6700679

CC(=O)N1CCC(C(C)(NC(=O)c2ccc(OCc3cccc4ccccc34)cc2)C2NC(=O)NC2=O)CC1

nearest known ligand 0.43

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
MMP12 P39900 3/20 0.42
MMP13 P45452 2/20 0.42
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
PARP10 Q53GL7 1/20 0.41
ADAM17 P78536 1/20 0.39
MMP2 P08253 3/20 0.38

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
SCHEMBL6677174 0.81 MMP12 (0.61) MMP12MMP13ADAM17MMP2
SCHEMBL4052607 0.79 MMP13 (0.43) MMP12MMP13MEN1KMT2APARP10
SCHEMBL6700685 0.78 MEN1 (0.41) MMP12MMP13MEN1KMT2APARP10
SCHEMBL6700688 0.78 MMP13 (0.42) MMP12MMP13MEN1KMT2APARP10
SCHEMBL6694698 0.78 SMN1; SMN2 (0.36) MMP12MMP13MEN1KMT2A
SCHEMBL6681647 0.75 MMP2 (0.50) MMP12MMP2
SCHEMBL6681635 0.75 MMP2 (0.50) MMP12MMP2
SCHEMBL4050014 0.68 MMP13 (0.59) MMP12MMP13ADAM17MMP2
SCHEMBL4556187 0.67 ADAM17 (0.57) MMP12MMP13ADAM17MMP2
SCHEMBL9582057 0.65 SLC6A5 (0.63) PARP10

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