Sugi Predict

Sugi Predict / Compounds / SCHEMBL20052433

SCHEMBL20052433

SCHEMBL20052433

CCO/C=C/[C@H](CC(=O)O)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](NC(=O)OCc1ccccc1)C(C)C

nearest known ligand 0.51

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ CASP3 P42574 19/20 0.51
▸ CASP7 P55210 13/20 0.51
▸ CASP1 P29466 9/20 0.49
▸ CASP9 P55211 7/20 0.49
▸ CASP4 P49662 3/20 0.49
▸ CASP8 Q14790 3/20 0.49
▸ CASP10 Q92851 3/20 0.49
▸ CASP5 P51878 2/20 0.49
▸ CASP6 P55212 2/20 0.49

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
SCHEMBL15462705 0.93 CASP3 (0.55) CASP3CASP7CASP1CASP9CASP4
SCHEMBL15462639 0.91 CASP3 (0.60) CASP3CASP7CASP1CASP9CASP4
SCHEMBL20052444 0.89 CASP3 (0.60) CASP3CASP7CASP1CASP9CASP4
SCHEMBL15462719 0.88 CASP3 (0.59) CASP3CASP7CASP1CASP9CASP4
SCHEMBL20355988 0.83 CASP3 (0.44) CASP3CASP7CASP1CASP9CASP4
SCHEMBL15462718 0.81 CASP3 (0.63) CASP3CASP7CASP1CASP9CASP4
SCHEMBL15462671 0.79 CASP3 (0.63) CASP3CASP7CASP1CASP9CASP4
SCHEMBL15462707 0.79 CASP3 (0.37) CASP3CASP7CASP1CASP9CASP4
SCHEMBL15462717 0.79 CASP3 (0.76) CASP3CASP7CASP1CASP9CASP4
SCHEMBL18472372 0.78 CASP3 (0.74) CASP3CASP7CASP1CASP9CASP4

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
US-9944674-B2 Selective cysteine protease inhibitors and uses thereof GENESIS TECHNOLOGIES LIMITED (BB) 2018-04-17 — — US disclosed
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