SCHEMBL6700688

SCHEMBL6700688

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

nearest known ligand 0.45

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MMP13 P45452 2/20 0.42
MMP12 P39900 1/20 0.42
ADAM17 P78536 6/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
PARP10 Q53GL7 1/20 0.40
ADAM10 O14672 1/20 0.40
MMP1 P03956 1/20 0.40

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
SCHEMBL4052607 0.88 MMP13 (0.43) MMP13MMP12ADAM17MEN1KMT2A
SCHEMBL6700685 0.82 MEN1 (0.41) MMP13MMP12ADAM17MEN1KMT2A
SCHEMBL6677180 0.80 MMP2 (0.62) MMP12ADAM17ADAM10MMP1
SCHEMBL6681641 0.79 MMP12 (0.60) MMP12ADAM17
SCHEMBL6694703 0.78 P2RX7 (0.37) ADAM17
SCHEMBL6700679 0.78 MMP12 (0.42) MMP13MMP12ADAM17MEN1KMT2A
SCHEMBL6692741 0.78 HDAC6 (0.40) MEN1KMT2A
SCHEMBL4050014 0.76 MMP13 (0.59) MMP13MMP12ADAM17
SCHEMBL6688203 0.71 MMP13 (0.51) MMP13MMP12ADAM17
SCHEMBL4051725 0.69 ADAM17 (0.58) MMP13ADAM17MMP1

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