SCHEMBL9400728

SCHEMBL9400728

NC(=S)NC(=O)C(=O)C=O

nearest known ligand 0.44

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
TAS2R38 P59533 1/20 0.44
ALDH1A1 P00352 3/20 0.34
HTT P42858 1/20 0.33
HSD17B10 Q99714 2/20 0.30
PTGS2 P35354 1/20 0.30
HPGD P15428 1/20 0.30

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
SCHEMBL4354951 0.79 CRBN (0.39)
SCHEMBL9400754 0.74
SCHEMBL7767986 0.70
SCHEMBL6462171 0.66 TAS2R38 (0.58) TAS2R38ALDH1A1HTTHSD17B10PTGS2
SCHEMBL395399 0.66
Dicarbonodithioimidic Diamide SCHEMBL3277790 0.64
SCHEMBL857557 0.64
SCHEMBL10340900 0.62
SCHEMBL7534808 0.62
SCHEMBL4182933 0.61

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-5294352-A Polymer alloy WALDMANN JOHN J (US) 1994-03-15 US claimed