SCHEMBL6700685

SCHEMBL6700685

CC(=O)N1CCC(C(CC2NC(=O)NC2=O)NC(=O)c2ccc(OCc3cccc4ccccc34)cc2)CC1

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
MMP13 P45452 2/20 0.40
MMP12 P39900 1/20 0.40
PARP10 Q53GL7 1/20 0.40
ADAM17 P78536 3/20 0.39
MMP2 P08253 2/20 0.38
HRH2 P25021 1/20 0.37
HRH1 P35367 1/20 0.37
KDM4E B2RXH2 1/20 0.37
MAPT P10636 1/20 0.37
PLG P00747 1/20 0.37
PRSS1 P07477 1/20 0.37
PRSS2 P07478 1/20 0.37
PRSS3 P35030 1/20 0.37

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 0.86 MMP13 (0.43) MEN1KMT2AMMP13MMP12PARP10
SCHEMBL6700688 0.82 MMP13 (0.42) MEN1KMT2AMMP13MMP12PARP10
SCHEMBL6677177 0.80 MMP12 (0.59) MMP13MMP12ADAM17MMP2
SCHEMBL6700679 0.78 MMP12 (0.42) MEN1KMT2AMMP13MMP12PARP10
SCHEMBL6692739 0.78 MEN1 (0.40) MEN1KMT2AKDM4EMAPT
SCHEMBL4050014 0.74 MMP13 (0.59) MMP13MMP12ADAM17MMP2
SCHEMBL6595548 0.70 ADAM17 (0.65) MMP13MMP12ADAM17MMP2
SCHEMBL6688203 0.70 MMP13 (0.51) MMP13MMP12ADAM17MMP2
SCHEMBL4056893 0.67 MMP12 (0.60) MMP13MMP12ADAM17MMP2
Trifluoroacetic Acid SCHEMBL6598038 0.67 ADAM17 (0.60) MMP13ADAM17MMP2

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