SCHEMBL19944842

SCHEMBL19944842

C=CCOC(=O)CNC(=O)[C@H](CCC(=O)OC(C)(C)C)NC(=O)CNC(=O)OCC(/C=C\C)=C/C

nearest known ligand 0.38

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 1/20 0.38
▸ F10 P00742 1/20 0.31
▸ CTSS P25774 1/20 0.30
▸ CTSK P43235 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
SCHEMBL19015896 0.75 SMN1; SMN2 (0.39) SMN1; SMN2CTSSCTSK
SCHEMBL19015751 0.71 SMN1; SMN2 (0.39) SMN1; SMN2CTSK
SCHEMBL19944837 0.69 PSMB5 (0.46) CTSSCTSK
SCHEMBL20356179 0.69 MEN1 (0.43) CTSS
SCHEMBL30565182 0.68 MEN1 (0.42) SMN1; SMN2CTSSCTSK
SCHEMBL13471245 0.68 SMN1; SMN2 (0.46) SMN1; SMN2CTSK
SCHEMBL13471019 0.68 CASP3 (0.46) CTSS
SCHEMBL646203 0.68 SMN1; SMN2 (0.50) SMN1; SMN2CTSSCTSK
SCHEMBL645609 0.68 SMN1; SMN2 (0.50) SMN1; SMN2CTSSCTSK
SCHEMBL13139840 0.68 SMN1; SMN2 (0.50) SMN1; SMN2CTSSCTSK

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
EP-2697246-B1 SELECTIVE CYSTEINE PROTEASE INHIBITORS AND USES THEREOF GENESIS TECH LIMITED (BB) 2018-03-07 — — EP disclosed
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