SCHEMBL6920795

SCHEMBL6920795

CCONC(CC(N)=O)C(N)=O

nearest known ligand 0.39

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
ECE1 P42892 3/20 0.39
ALOX15 P16050 1/20 0.33
CAD P27708 1/20 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
SCHEMBL6920806 1.00 ECE1 (0.39) ECE1ALOX15CAD
SCHEMBL6920799 0.86 GABRR1 (0.34) ALOX15CAD
SCHEMBL7347883 0.73 ECE1 (0.44) ECE1ALOX15CAD
SCHEMBL7352891 0.73 ECE1 (0.44) ECE1ALOX15CAD
SCHEMBL7034111 0.72 ECE1 (0.42) ECE1
SCHEMBL3856802 0.72 ECE1 (0.42) ECE1
SCHEMBL16128209 0.72 SUCNR1 (0.33) ALOX15
SCHEMBL27597011 0.72 KMT2A (0.42) ALOX15
SCHEMBL18306946 0.72 ECE1 (0.31) ECE1
SCHEMBL27597009 0.72 KMT2A (0.42) ALOX15

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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