SCHEMBL7739999

SCHEMBL7739999

C=CCOC(=O)N[C@@H](CC(=O)O)C(=O)CCCC

nearest known ligand 0.56

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
CASP1 P29466 20/20 0.56

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
SCHEMBL13508243 0.86 CASP1 (0.61) CASP1
SCHEMBL647066 0.81 CASP1 (0.62) CASP1
SCHEMBL12522512 0.81 CASP1 (0.62) CASP1
SCHEMBL7486694 0.80 CASP1 (0.77) CASP1
SCHEMBL648396 0.80 CASP1 (0.61) CASP1
SCHEMBL9696739 0.79 CASP1 (0.59) CASP1
SCHEMBL10888856 0.79 CASP1 (0.59) CASP1
SCHEMBL10884952 0.79 CASP1 (0.59) CASP1
SCHEMBL9241574 0.79 CASP1 (0.59) CASP1
SCHEMBL7337355 0.79 CASP1 (0.59) 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
US-6620782-B1 Substituted 2-aminobenzamide caspase inhibitors and the use thereof CYTOVIA, INC. 2003-09-16 US disclosed