SCHEMBL5496674

SCHEMBL5496674

CCO[C@H]1OC(=O)C[C@@H]1NC(=O)OCc1ccccc1

nearest known ligand 0.53

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CASP3 P42574 4/20 0.50
CASP1 P29466 3/20 0.49
CPB1 P15086 1/20 0.48
NAAA Q02083 3/20 0.47
CASP7 P55210 2/20 0.47
CASP6 P55212 2/20 0.47
CASP8 Q14790 2/20 0.47
ALDH1A1 P00352 1/20 0.46
GAA P10253 1/20 0.46

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
SCHEMBL5496679 1.00 CASP3 (0.50) CASP3CASP1CPB1NAAACASP7
SCHEMBL5491311 1.00 CASP3 (0.50) CASP3CASP1CPB1NAAACASP7
SCHEMBL26172641 0.89 CPB1 (0.55) CASP3CASP1CPB1NAAACASP7
SCHEMBL26172649 0.89 CPB1 (0.55) CASP3CASP1CPB1NAAACASP7
SCHEMBL26172642 0.89 CPB1 (0.55) CASP3CASP1CPB1NAAACASP7
SCHEMBL30481174 0.89 CPB1 (0.55) CASP3CASP1CPB1NAAACASP7
SCHEMBL14288630 0.84 NAAA (0.55) CASP3CASP1CPB1NAAACASP7
SCHEMBL14288653 0.82 CTSK (0.53) CASP3CASP1CASP7CASP6CASP8
SCHEMBL7404163 0.81 CASP1 (0.52) CASP3CASP1CPB1NAAACASP7
SCHEMBL645015 0.81 CASP3 (0.42) CASP3CASP1CPB1ALDH1A1GAA

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
WO-2023215559-A1 COMPOUNDS, COMPOSITIONS, AND METHODS ARIA PHARMACEUTICALS, INC. (US) 2023-11-09 WO 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