SCHEMBL29317498

SCHEMBL29317498

CCOC1OC(=O)C[C@@H]1NC

nearest known ligand 0.35

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.35
CASP1 P29466 1/20 0.30
CASP3 P42574 1/20 0.30
CASP8 Q14790 1/20 0.30
TK1 P04183 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
SCHEMBL16381874 0.81 SMN1; SMN2 (0.43) SMN1; SMN2TK1
SCHEMBL12831196 0.81 SMN1; SMN2 (0.43) SMN1; SMN2TK1
SCHEMBL10201808 0.81 SMN1; SMN2 (0.43) SMN1; SMN2TK1
SCHEMBL16381893 0.81 SMN1; SMN2 (0.32) SMN1; SMN2
SCHEMBL8288025 0.81 SMN1; SMN2 (0.32) SMN1; SMN2
SCHEMBL26623252 0.80 CASP3 (0.35) SMN1; SMN2CASP1CASP3CASP8TK1
SCHEMBL6200874 0.80 CASP3 (0.35) SMN1; SMN2CASP1CASP3CASP8TK1
SCHEMBL26623259 0.80 CASP3 (0.35) SMN1; SMN2CASP1CASP3CASP8TK1
SCHEMBL13139707 0.76 TMEM97 (0.41) CASP1CASP3CASP8
SCHEMBL7150924 0.76 SMN1; SMN2 (0.37) SMN1; SMN2TK1

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
WO-2024146906-A1 CASPASE-2 INHIBITOR COMPOUNDS Kintsugi Therapeutics S.L. (ES) 2024-07-11 WO disclosed