SCHEMBL19015896

SCHEMBL19015896

C=CCOC(=O)CNC(=O)C(CCC(=O)OC(C)(C)C)NC(=O)[C@H](CC(=O)OC(C)(C)C)NC=O

nearest known ligand 0.39

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 1/20 0.39
▸ CTSS P25774 2/20 0.31
▸ CTSK P43235 2/20 0.31
▸ TDP1 Q9NUW8 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
SCHEMBL19015919 0.78 CASP3 (0.39) SMN1; SMN2
SCHEMBL19015826 0.77 PSMB5 (0.36) —
SCHEMBL19015751 0.76 SMN1; SMN2 (0.39) SMN1; SMN2CTSKTDP1
SCHEMBL19944842 0.75 SMN1; SMN2 (0.38) SMN1; SMN2CTSSCTSK
SCHEMBL19944837 0.73 PSMB5 (0.46) CTSSCTSK
SCHEMBL24235745 0.72 KMT2A (0.40) CTSKTDP1
SCHEMBL13471019 0.72 CASP3 (0.46) CTSS
SCHEMBL5017558 0.72 L3MBTL1 (0.37) SMN1; SMN2CTSKTDP1
SCHEMBL24235667 0.72 L3MBTL1 (0.37) SMN1; SMN2CTSKTDP1
SCHEMBL5017556 0.72 L3MBTL1 (0.37) SMN1; SMN2CTSKTDP1

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-2288615-B1 SELECTIVE CASPASE INHIBITORS AND USES THEREOF GENESIS TECH LTD (BB) 2017-06-21 — — EP disclosed
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