SCHEMBL6164297

SCHEMBL6164297

COc1cc(CCCNC(=O)CC(C(=O)NC(C=O)CC(=O)O)C(C)C)cc(OC)c1OC

nearest known ligand 0.73

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
CASP1 P29466 19/20 0.73

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
SCHEMBL6157630 0.83 CASP1 (1.00) CASP1
SCHEMBL6157629 0.83 CASP1 (1.00) CASP1
SCHEMBL6157640 0.83 CASP1 (1.00) CASP1
SCHEMBL6160430 0.74 CASP1 (0.77) CASP1
SCHEMBL6160428 0.74 CASP1 (0.77) CASP1
SCHEMBL6158900 0.70 CASP1 (0.38) CASP1
SCHEMBL6159342 0.68 CASP1 (0.60) CASP1
SCHEMBL6159306 0.67 CASP1 (0.71) CASP1
SCHEMBL6159731 0.67 CASP1 (0.71) CASP1
SCHEMBL5329567 0.66 KMT2A (0.50)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1082127-B1 SUCCINAMIDE INHIBITORS OF INTERLEUKIN-1BETA CONVERTING ENZYME WARNER LAMBERT CO (US) 2005-06-22 EP claimed
EP-1082127-B1 SUCCINAMIDE INHIBITORS OF INTERLEUKIN-1BETA CONVERTING ENZYME WARNER LAMBERT CO (US) 2005-06-22 EP disclosed