SCHEMBL9697657

SCHEMBL9697657

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

nearest known ligand 0.42

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
CASP1 P29466 20/20 0.42

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
SCHEMBL9697845 1.00 CASP1 (0.42) CASP1
SCHEMBL9698989 0.86 SMN1; SMN2 (0.36) CASP1
SCHEMBL5197347 0.78 CASP1 (0.48) CASP1
SCHEMBL7277399 0.78 CASP1 (0.48) CASP1
SCHEMBL9699458 0.78 CASP1 (0.48) CASP1
SCHEMBL5199242 0.76 CASP1 (0.40) CASP1
SCHEMBL22409473 0.76 CA1 (0.39)
SCHEMBL29255184 0.76 CA1 (0.39)
SCHEMBL3676474 0.76 CA1 (0.39)
SCHEMBL9697843 0.76 CASP1 (0.49) 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
WO-1992002521-A1 1-AZABICYCLO[3.2.0]HEPT-2-ENE-2-CARBOXYLIC ACID COMPOUNDS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1992-02-20 WO disclosed