SCHEMBL7277399

SCHEMBL7277399

C=CCOC(=O)NC(CO)CC(=O)O

nearest known ligand 0.48

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
CASP1 P29466 20/20 0.48

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
SCHEMBL9699458 1.00 CASP1 (0.48) CASP1
SCHEMBL5197347 1.00 CASP1 (0.48) CASP1
SCHEMBL17919265 0.88 CASP1 (0.40) CASP1
SCHEMBL9697843 0.84 CASP1 (0.49) CASP1
SCHEMBL9697658 0.84 CASP1 (0.49) CASP1
SCHEMBL9697634 0.84 CASP1 (0.49) CASP1
SCHEMBL646877 0.84 CASP1 (0.40) CASP1
SCHEMBL645196 0.80 CASP1 (0.45) CASP1
SCHEMBL3471522 0.79 SMN1; SMN2 (0.44) CASP1
SCHEMBL9697657 0.78 CASP1 (0.42) CASP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0519748-B1 Peptidyl derivatives as inhibitors of interleukin-1B converting enzyme MERCK & CO INC (US) 1998-09-02 EP disclosed