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SCHEMBL7367055

SCHEMBL7367055

CCOC(=O)C[C@@H](NC(=O)[C@H](C)NC(=O)[C@@H](NC(=O)OCc1ccccc1)C(C)C)C(=O)COC(=O)c1c(Cl)cccc1Cl

nearest known ligand 0.57

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ CASP3 P42574 14/20 0.57
▸ CASP6 P55212 13/20 0.57
▸ CASP8 Q14790 13/20 0.57
▸ CASP1 P29466 3/20 0.49
▸ CTSB P07858 2/20 0.46
▸ CTSK P43235 2/20 0.46

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
SCHEMBL3056903 1.00 CASP3 (0.57) CASP3CASP6CASP8CASP1CTSB
SCHEMBL8247253 0.92 CASP3 (0.67) CASP3CASP6CASP8CASP1
SCHEMBL7745119 0.92 CASP3 (0.67) CASP3CASP6CASP8CASP1
SCHEMBL18863053 0.91 CASP3 (0.55) CASP3CASP6CASP8CASP1
SCHEMBL9415817 0.86 CASP3 (0.46) CASP3CASP6CASP8CASP1
SCHEMBL645918 0.84 CASP3 (0.57) CASP3CASP6CASP8CASP1
SCHEMBL13914069 0.82 CASP3 (0.50) CASP3CASP6CASP8CASP1CTSB
SCHEMBL30472164 0.81 CASP3 (0.47) CASP3CASP6CASP8CASP1CTSB
SCHEMBL13197161 0.80 CASP1 (0.59) CASP3CASP6CASP8CASP1
SCHEMBL8402109 0.80 CASP1 (0.59) CASP3CASP6CASP8CASP1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0611375-A1 PEPTIDES INHIBITING IL-1 BETA RELEASE SANDOZ LTD. (CH) 1994-08-24 — — EP disclosed
WO-1993009135-A1 PEPTIDES INHIBITING IL-1 BETA RELEASE SANDOZ LTD. (CH) 1993-05-13 — — WO disclosed