SCHEMBL4556869

SCHEMBL4556869

CC(C)[C@H](NC1(c2ccccc2Oc2ccccc2)CCCCO1)C(=O)N[C@@H](CC(=O)O)C(=O)COc1c(F)c(F)cc(F)c1F

nearest known ligand 0.54

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
CASP3 P42574 20/20 0.54
CASP6 P55212 20/20 0.54
CASP8 Q14790 20/20 0.54
CASP7 P55210 1/20 0.52

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
SCHEMBL4555792 0.94 CASP3 (0.51) CASP3CASP6CASP8CASP7
SCHEMBL4557047 0.93 CASP3 (0.61) CASP3CASP6CASP8CASP7
SCHEMBL1894505 0.91 CASP3 (0.59) CASP3CASP6CASP8CASP7
SCHEMBL4557103 0.90 CASP3 (0.61) CASP3CASP6CASP8CASP7
SCHEMBL4557046 0.90 CASP3 (0.60) CASP3CASP6CASP8CASP7
SCHEMBL4556823 0.90 CASP3 (0.54) CASP3CASP6CASP8CASP7
SCHEMBL1895586 0.89 CASP3 (0.61) CASP3CASP6CASP8CASP7
SCHEMBL4555795 0.89 CASP3 (0.61) CASP3CASP6CASP8CASP7
SCHEMBL1899349 0.89 CASP3 (0.61) CASP3CASP6CASP8CASP7
SCHEMBL1899960 0.88 CASP3 (0.56) CASP3CASP6CASP8CASP7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
EP-2124543-A2 PESTICIDE COMPOSITION AND METHOD OF USE Loveland Products, Inc. (US) 2009-12-02 EP disclosed
WO-2008085682-A2 PESTICIDE COMPOSITION AND METHOD OF USE LOVELAND PRODUCTS, INC. (US) 2008-07-17 WO disclosed