SCHEMBL27546342

SCHEMBL27546342

[CH2]CCC#CC(=O)OC(C)(C)C

nearest known ligand 0.33

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
CTSK P43235 2/20 0.33

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
SCHEMBL9746433 0.83 CTSK (0.34) CTSK
SCHEMBL1089166 0.82 SPHK1 (0.35) CTSK
SCHEMBL9604817 0.80 CTSK (0.33) CTSK
SCHEMBL1088319 0.78 SPHK1 (0.42) CTSK
SCHEMBL13926370 0.78 DGAT1 (0.32) CTSK
SCHEMBL15418773 0.77 TDP1 (0.43) CTSK
SCHEMBL29060117 0.77 SPHK1 (0.33) CTSK
SCHEMBL16287880 0.77
SCHEMBL1088806 0.77 CTSK (0.35) CTSK
SCHEMBL27014757 0.77 CTSK (0.35) CTSK

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-1272114-A Phenethylamine derivatives CHUGAI PHARMACEUTICAL CO LTD (JP) 2000-11-01 CN disclosed