SCHEMBL7955439

SCHEMBL7955439

CCC(OC(C)(C)C)C(N=C=O)C(=O)O

nearest known ligand 0.31

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
CTSS P25774 1/20 0.31
CTSK P43235 1/20 0.31

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
SCHEMBL7821232 0.78 CYP1A2 (0.39) CTSSCTSK
SCHEMBL7808946 0.78 CYP1A2 (0.39) CTSSCTSK
SCHEMBL7840751 0.77
SCHEMBL7840753 0.77
SCHEMBL11196389 0.77
SCHEMBL4787912 0.74 CA2 (0.31)
SCHEMBL1274255 0.71 ALDH1A1 (0.36)
SCHEMBL1439235 0.71 ALDH1A1 (0.36)
SCHEMBL1188859 0.71 ALDH1A1 (0.36)
SCHEMBL28097909 0.70 MAPK1 (0.38)

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-6281363-B1 ANTIINFLAMMATORY AGENTS; ANTIARTHRITIC AGENTS; AUTOIMMUNE DISORDERS HOFFMANN-LA ROCHE INC. 2001-08-28 US disclosed