SCHEMBL19015846

SCHEMBL19015846

CC[C@H](NC=O)C(=O)NC(Cc1ccc2ccccc2n1)C(=O)N[C@H](C(=O)NC(/C=C(\Cl)S(C)(=O)=O)CC(=O)O)C(C)C

nearest known ligand 0.74

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ CASP3 P42574 19/20 0.74
▸ CASP7 P55210 12/20 0.74
▸ CASP1 P29466 8/20 0.74
▸ CASP9 P55211 6/20 0.74
▸ CASP10 Q92851 2/20 0.49
▸ CASP4 P49662 2/20 0.40
▸ CASP5 P51878 1/20 0.40
▸ CASP6 P55212 1/20 0.40
▸ CASP8 Q14790 1/20 0.40

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
SCHEMBL19015795 0.89 CASP3 (0.73) CASP3CASP7CASP1CASP9CASP10
SCHEMBL19015845 0.85 CASP3 (1.00) CASP3CASP7CASP1CASP9CASP10
SCHEMBL7970067 0.85 CASP3 (1.00) CASP3CASP7CASP1CASP9CASP10
SCHEMBL19015898 0.85 CASP3 (1.00) CASP3CASP7CASP1CASP9CASP10
SCHEMBL18471652 0.84 CASP3 (0.69) CASP3CASP7CASP1CASP9CASP10
SCHEMBL7886597 0.84 CASP3 (0.69) CASP3CASP7CASP1CASP9CASP10
SCHEMBL18782013 0.79 CASP3 (0.88) CASP3CASP7CASP1CASP9CASP10
SCHEMBL7976025 0.77 CASP3 (0.83) CASP3CASP7CASP1CASP9CASP10
SCHEMBL7888498 0.75 CASP3 (1.00) CASP3CASP7CASP1CASP9CASP10
SCHEMBL16376133 0.75 CASP3 (1.00) CASP3CASP7CASP1CASP9CASP10

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
Send feedback