SCHEMBL4556937

SCHEMBL4556937

CC[C@H](CN[C@@H](CC(=O)OC(C)(C)C)C(=O)COc1c(F)c(F)cc(F)c1F)c1ccnn(Cc2ccccc2C(C)(C)C)c1=O

nearest known ligand 0.39

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CASP3 P42574 20/20 0.39
CASP8 Q14790 8/20 0.38
CASP6 P55212 6/20 0.38
CASP1 P29466 2/20 0.33
CASP9 P55211 2/20 0.33

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
SCHEMBL4555751 1.00 CASP3 (0.39) CASP3CASP8CASP6CASP1CASP9
SCHEMBL4556594 0.92 CASP3 (0.47) CASP3CASP8CASP6CASP1CASP9
SCHEMBL4446027 0.92 CASP3 (0.47) CASP3CASP8CASP6CASP1CASP9
SCHEMBL4249886 0.88 CASP3 (0.46) CASP3CASP8CASP6
SCHEMBL4249880 0.88 CASP3 (0.46) CASP3CASP8CASP6
SCHEMBL4251576 0.88 CASP3 (0.46) CASP3CASP8CASP6
SCHEMBL15085572 0.87 CASP3 (0.40) CASP3CASP8CASP6CASP1CASP9
SCHEMBL4451523 0.87 CASP3 (0.40) CASP3CASP8CASP6CASP1CASP9
SCHEMBL4556696 0.85 CASP3 (0.38) CASP3CASP8CASP6CASP1CASP9
SCHEMBL4451536 0.85 CASP3 (0.38) CASP3CASP8CASP6CASP1CASP9

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
US-8481537-B2 Caspase inhibitors based of pyridazinone scaffold LG LIFE SCIENCES LTD. (KR) 2013-07-09 US disclosed
EP-2046757-A1 CASPASE INHIBITORS BASED ON PYRIDAZINONE SCAFFOLD LG Life Sciences Ltd. (KR) 2009-04-15 EP disclosed
WO-2008016239-A1 CASPASE INHIBITORS BASED ON PYRIDAZINONE SCAFFOLD LG LIFE SCIENCES LTD. (KR) 2008-02-07 WO disclosed