SCHEMBL28116835

SCHEMBL28116835

CSC(CNCC(CC(=O)O)SC)CC(=O)O.[BaH2]

nearest known ligand 0.37

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.37
SLC22A6 Q4U2R8 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.31
MAPT P10636 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
SCHEMBL28117141 0.96 TDP1 (0.37) TDP1SLC22A6SMN1; SMN2MAPT
SCHEMBL24585276 0.83 TDP1 (0.37) TDP1SLC22A6SMN1; SMN2MAPT
SCHEMBL30689537 0.75
SCHEMBL2690498 0.75
SCHEMBL15910326 0.73
SCHEMBL15346662 0.71 CACNA2D1 (0.47) TDP1SLC22A6
SCHEMBL15346755 0.71 TDP1 (0.41) TDP1SLC22A6SMN1; SMN2
SCHEMBL9818203 0.70 TDP1 (0.37) TDP1SLC22A6
SCHEMBL9444703 0.68 GPR84 (0.47) TDP1SLC22A6
SCHEMBL4010930 0.65 CYP2D6 (0.54)

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
CN-104844485-B The clean preparation method of methionine 宁夏紫光天化蛋氨酸有限责任公司 2017-01-04 CN disclosed