SCHEMBL4445548

SCHEMBL4445548

NC(F)C(=O)CCC(=O)O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.47
EGLN1 Q9GZT9 2/20 0.47
ALKBH5 Q6P6C2 1/20 0.47
SUCNR1 Q9BXA5 1/20 0.47
SLC15A1 P46059 1/20 0.44
GABRP O00591 2/20 0.42
GABRD O14764 2/20 0.42
GABRA1 P14867 2/20 0.42
GABRB1 P18505 2/20 0.42
GABRG2 P18507 2/20 0.42
GABRB3 P28472 2/20 0.42
GABRA5 P31644 2/20 0.42
GABRA3 P34903 2/20 0.42
GABRA2 P47869 2/20 0.42
GABRB2 P47870 2/20 0.42
GABRA4 P48169 2/20 0.42
GABRE P78334 2/20 0.42
GABRA6 Q16445 2/20 0.42
GABRG1 Q8N1C3 2/20 0.42
GABRG3 Q99928 2/20 0.42

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
SCHEMBL28136524 0.78 LMNA (0.53) LMNAEGLN1ALKBH5SUCNR1SLC15A1
SCHEMBL14054474 0.76 LMNA (0.50) LMNAEGLN1ALKBH5SUCNR1SLC15A1
Hydrochloric Acid SCHEMBL28708281 0.76 LMNA (0.50) LMNAEGLN1ALKBH5SUCNR1SLC15A1
SCHEMBL1986431 0.74 GABRP (0.54) LMNAEGLN1ALKBH5SUCNR1SLC15A1
SCHEMBL1332607 0.74 GRM8 (0.48) LMNAEGLN1ALKBH5SUCNR1SLC15A1
Succinic Acid SCHEMBL18151996 0.74 LMNA (0.64) LMNAEGLN1ALKBH5SUCNR1GABRP
Succinic Acid SCHEMBL5017517 0.72
Succinic Acid SCHEMBL2727146 0.72 LMNA (0.90) LMNAEGLN1ALKBH5SUCNR1GABRP
Hydrochloric Acid SCHEMBL4122727 0.72 GABRP (0.52) LMNAEGLN1ALKBH5SUCNR1SLC15A1
SCHEMBL7453276 0.72 GABRP (0.52) LMNAGABRPGABRDGABRA1GABRB1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101506174-A Caspase inhibitors based on pyridazinone scaffold LG LIFE SCIENCES LTD (KR) 2009-08-12 CN claimed
US-8481537-B2 Caspase inhibitors based of pyridazinone scaffold LG LIFE SCIENCES LTD. (KR) 2013-07-09 US disclosed
CN-101506174-B Caspase inhibitors based on pyridazinone scaffold LG LIFE SCIENCES LTD 2012-05-02 CN disclosed
CN-101506174-A Caspase inhibitors based on pyridazinone scaffold LG LIFE SCIENCES LTD (KR) 2009-08-12 CN disclosed
EP-2046757-A1 CASPASE INHIBITORS BASED ON PYRIDAZINONE SCAFFOLD LG Life Sciences Ltd. (KR) 2009-04-15 EP disclosed
CN-101217980-A New combination of anti-MADCAM antibody and antifibrotic caspase inhibitor to treat liver fibrosis PFIZER LTD (GB) 2008-07-09 CN disclosed
WO-2008016239-A1 CASPASE INHIBITORS BASED ON PYRIDAZINONE SCAFFOLD LG LIFE SCIENCES LTD. (KR) 2008-02-07 WO disclosed
EP-1480999-A2 (SUBSTITUTED)ACYL DIPEPTIDYL INHIBITORS OF THE ICE/CED-3 FAMILY OF CYSTEINE PROTEASES Idun Pharmaceuticals (US) 2004-12-01 EP disclosed
WO-2003072528-A2 (SUBSTITUTED)ACYL DIPEPTIDYL INHIBITORS OF THE ICE/CED-3 FAMILY OF CYSTEINE PROTEASES IDUN PHARMACEUTICALS, INC. (US) 2003-09-04 WO disclosed