SCHEMBL6220232

SCHEMBL6220232

CC(C)C[C@@H](C(=O)NN1C(=O)CNC1=O)[C@H](C/C=C/c1ccccc1)C(=O)OC(C)(C)C

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADAM17 P78536 3/20 0.43
MMP2 P08253 6/20 0.34
MMP3 P08254 6/20 0.34
MMP7 P09237 5/20 0.34
CTRB1 P17538 1/20 0.32
NAAA Q02083 2/20 0.32
MAPT P10636 2/20 0.32
ATM Q13315 2/20 0.32
CASP1 P29466 1/20 0.32
CASP3 P42574 1/20 0.32
CASP7 P55210 1/20 0.32
CASP6 P55212 1/20 0.32
CASP8 Q14790 1/20 0.32
MAPK1 P28482 1/20 0.32
KMT2A Q03164 1/20 0.32
MMP1 P03956 5/20 0.32
MMP8 P22894 2/20 0.32
MMP9 P14780 1/20 0.32
MMP12 P39900 1/20 0.32
MMP13 P45452 1/20 0.32

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
SCHEMBL6220234 1.00 ADAM17 (0.43) ADAM17MMP2MMP3MMP7CTRB1
SCHEMBL6220239 1.00 ADAM17 (0.43) ADAM17MMP2MMP3MMP7CTRB1
SCHEMBL6220231 1.00 ADAM17 (0.43) ADAM17MMP2MMP3MMP7CTRB1
SCHEMBL6220767 0.88 ADAM17 (0.55) ADAM17MMP2MMP3MMP7MMP1
SCHEMBL6224244 0.88 ADAM17 (0.48) ADAM17MMP2MMP3MMP7MMP1
SCHEMBL6220759 0.88 ADAM17 (0.55) ADAM17MMP2MMP3MMP7MMP1
SCHEMBL6224235 0.88 ADAM17 (0.48) ADAM17MMP2MMP3MMP7MMP1
SCHEMBL6224241 0.88 ADAM17 (0.48) ADAM17MMP2MMP3MMP7MMP1
SCHEMBL6220773 0.88 ADAM17 (0.55) ADAM17MMP2MMP3MMP7MMP1
SCHEMBL6224250 0.88 ADAM17 (0.48) ADAM17MMP2MMP3MMP7MMP1

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1137640-B1 CYCLIC HYDRAZINE DERIVATIVES AS TNF-ALPHA INHIBITORS HOFFMANN LA ROCHE (CH) 2005-09-21 EP disclosed
CN-1132819-C Cyclic hydrazine derivatives as TNF-alpha inhibitors HOFFMAN-LA ROCHE LTD. (CH) 2003-12-31 CN disclosed
CN-1330640-A Cyclic hydrazine derivatives as TNF-alpha inhibitors HOFFMANN LA ROCHE (CH) 2002-01-09 CN disclosed
EP-1137640-A1 CYCLIC HYDRAZINE DERIVATIVES AS TNF-ALPHA INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2001-10-04 EP disclosed
US-6281363-B1 ANTIINFLAMMATORY AGENTS; ANTIARTHRITIC AGENTS; AUTOIMMUNE DISORDERS HOFFMANN-LA ROCHE INC. 2001-08-28 US disclosed
WO-2000035885-A1 CYCLIC HYDRAZINE DERIVATIVES AS TNF-ALPHA INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2000-06-22 WO disclosed