Sugi Predict

Sugi Predict / Compounds / SCHEMBL20052382

SCHEMBL20052382

SCHEMBL20052382

CC(C)C(NC(=O)[C@@H](NC(=O)[C@H](CC(=O)O)NC(=O)OCc1ccccc1)c1ccccc1)C(=O)N[C@H](/C=C/S(C)(=O)=O)Cc1nnn[nH]1

nearest known ligand 0.78

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ CASP3 P42574 20/20 0.78
▸ CASP7 P55210 13/20 0.78
▸ CASP1 P29466 7/20 0.78
▸ CASP4 P49662 3/20 0.78
▸ CASP9 P55211 5/20 0.64
▸ CASP10 Q92851 3/20 0.64
▸ CASP8 Q14790 2/20 0.60
▸ CASP5 P51878 1/20 0.54
▸ CASP6 P55212 1/20 0.54

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
SCHEMBL20356086 1.00 CASP3 (0.78) CASP3CASP7CASP1CASP4CASP9
SCHEMBL15462618 1.00 CASP3 (0.78) CASP3CASP7CASP1CASP4CASP9
SCHEMBL15462677 0.90 CASP3 (0.78) CASP3CASP7CASP1CASP4CASP9
SCHEMBL15462694 0.89 CASP3 (0.78) CASP3CASP7CASP1CASP4CASP9
SCHEMBL7886294 0.88 CASP3 (1.00) CASP3CASP7CASP1CASP4CASP9
SCHEMBL20356096 0.86 CASP3 (0.89) CASP3CASP7CASP1CASP4CASP9
SCHEMBL15462711 0.86 CASP3 (0.89) CASP3CASP7CASP1CASP4CASP9
SCHEMBL15462662 0.85 CASP3 (0.62) CASP3CASP7CASP1CASP4CASP9
SCHEMBL20356080 0.85 CASP3 (0.85) CASP3CASP7CASP1CASP4CASP9
SCHEMBL15462714 0.84 CASP3 (0.85) CASP3CASP7CASP1CASP4CASP9

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
Send feedback