SCHEMBL5502298

SCHEMBL5502298

CCO[C@H]1OC(=O)C[C@@H]1N

nearest known ligand 0.37

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.37
TK1 P04183 1/20 0.31

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
SCHEMBL7150924 1.00 SMN1; SMN2 (0.37) SMN1; SMN2TK1
SCHEMBL3060283 1.00 SMN1; SMN2 (0.37) SMN1; SMN2TK1
SCHEMBL3036948 1.00 SMN1; SMN2 (0.37) SMN1; SMN2TK1
Hydrochloric Acid SCHEMBL7928006 0.98 SMN1; SMN2 (0.35) SMN1; SMN2TK1
SCHEMBL8286842 0.85 SMN1; SMN2 (0.34) SMN1; SMN2
SCHEMBL8288852 0.85 SMN1; SMN2 (0.34) SMN1; SMN2
SCHEMBL3470163 0.84 CYP1A2 (0.33) SMN1; SMN2
SCHEMBL13201969 0.84 CYP1A2 (0.33) SMN1; SMN2
SCHEMBL8288905 0.84 CYP1A2 (0.33) SMN1; SMN2
SCHEMBL3470048 0.80 CTSV (0.37) SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2399916-B1 Process and intermediates for the preparation of aspartic acetal caspase ihnhibitors VERTEX PHARMA (US) 2014-12-10 EP disclosed
US-7183260-B2 C-terminal modified oxamyl dipeptides as inhibitors of the ICE/ced-3 family of cysteine proteases IDUN PHARMACEUTICALS, INC. (US) 2007-02-27 US disclosed
US-7183260-B2 C-terminal modified oxamyl dipeptides as inhibitors of the ICE/ced-3 family of cysteine proteases IDUN PHARMACEUTICALS, INC. (US) 2007-02-27 US disclosed
US-7183260-B2 C-terminal modified oxamyl dipeptides as inhibitors of the ICE/ced-3 family of cysteine proteases IDUN PHARMACEUTICALS, INC. (US) 2007-02-27 US disclosed
US-7053056-B2 C-terminal modified oxamyl dipeptides as inhibitors of the ICE/ced-3 family of cysteine proteases IDUN PHARMACEUTICALS, INC. (US) 2006-05-30 US disclosed