SCHEMBL11090115

SCHEMBL11090115

CC(=NO)SCC(=O)N(C)C

nearest known ligand 0.34

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.34
HTT P42858 1/20 0.33
ALDH1A1 P00352 1/20 0.32

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
SCHEMBL11095110 0.79 ALDH1A1 (0.39) ALDH1A1
SCHEMBL9697831 0.77 GAA (0.38) GAAHTTALDH1A1
SCHEMBL11100039 0.74 ALDH1A1 (0.42) HTTALDH1A1
SCHEMBL11094595 0.73
SCHEMBL11095531 0.71 TDP1 (0.32) ALDH1A1
SCHEMBL11096100 0.71 GAA (0.43) GAAALDH1A1
SCHEMBL23690531 0.68 LMNA (0.49) GAAHTTALDH1A1
SCHEMBL10800984 0.68 HTT (0.48) GAAHTTALDH1A1
SCHEMBL10703997 0.68 GAA (0.42) GAAHTTALDH1A1
SCHEMBL4876748 0.67 CYP2C19 (0.54) GAAALDH1A1

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-4454134-A INSECTICIDES, MITICIDES UNION CARBIDE CORPORATION (US) 1984-06-12 US disclosed