SCHEMBL4556879

SCHEMBL4556879

C[C@H](NC1(c2ccccc2C(C)(C)C)CCCCO1)C(=O)N[C@@H](CC(=O)O)C(=O)COc1ccccc1F

nearest known ligand 0.59

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
CASP3 P42574 20/20 0.59
CASP6 P55212 14/20 0.59
CASP8 Q14790 14/20 0.59

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
SCHEMBL4556826 0.90 CASP3 (0.59) CASP3CASP6CASP8
SCHEMBL1897560 0.90 CASP3 (0.60) CASP3CASP6CASP8
SCHEMBL1893933 0.84 CASP3 (0.57) CASP3CASP6CASP8
SCHEMBL4556858 0.83 CASP3 (0.62) CASP3CASP6CASP8
SCHEMBL4552820 0.82 CASP3 (0.51) CASP3CASP6CASP8
SCHEMBL3285382 0.81 CASP3 (0.50) CASP3CASP6CASP8
SCHEMBL4555792 0.80 CASP3 (0.51) CASP3CASP6CASP8
SCHEMBL6054147 0.80 CASP1 (0.37) CASP3CASP6CASP8
SCHEMBL4556832 0.80 CASP3 (0.56) CASP3CASP6CASP8
SCHEMBL4556825 0.78 CASP3 (0.57) CASP3CASP6CASP8

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-1735379-B1 AMPHIPHILIC BLOCK COPOLYMER-TOUGHENED THERMOSET RESINS DOW GLOBAL TECHNOLOGIES INC (US) 2009-01-28 EP claimed
EP-1091930-B1 C-TERMINAL MODIFIED OXAMYL DIPEPTIDES AS INHIBITORS OF THE ICE/ced-3 FAMILY OF CYSTEINE PROTEASES IDUN PHARMACEUTICALS INC (US) 2006-12-13 EP claimed
US-6544951-B2 Antiinflammatory agents; autoimmune diseases, nervous system degradation IDUN PHARMACEUTICALS, INC. 2003-04-08 US claimed