Sugi Predict

Sugi Predict / Compounds / SCHEMBL20052416

SCHEMBL20052416

SCHEMBL20052416

CC(C)C(NC(=O)[C@H](Cc1cn(C)c2ccccc12)NC(=O)[C@H](CC(=O)O)NC(=O)OCc1ccccc1)C(=O)N[C@H](/C=C/S(C)(=O)=O)CC(=O)O

nearest known ligand 0.78

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ CASP3 P42574 20/20 0.78
▸ CASP7 P55210 13/20 0.74
▸ CASP1 P29466 8/20 0.74
▸ CASP9 P55211 5/20 0.71
▸ CASP4 P49662 3/20 0.68
▸ CASP5 P51878 2/20 0.59
▸ CASP6 P55212 2/20 0.59
▸ CASP8 Q14790 2/20 0.59
▸ CASP10 Q92851 2/20 0.59

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
SCHEMBL15462689 1.00 CASP3 (0.78) CASP3CASP7CASP1CASP9CASP4
SCHEMBL20355924 1.00 CASP3 (0.78) CASP3CASP7CASP1CASP9CASP4
SCHEMBL20355922 1.00 CASP3 (0.78) CASP3CASP7CASP1CASP9CASP4
SCHEMBL20052455 0.93 CASP3 (0.74) CASP3CASP7CASP1CASP9CASP4
SCHEMBL20355912 0.91 CASP3 (0.65) CASP3CASP7CASP1CASP9CASP4
SCHEMBL20355913 0.91 CASP3 (0.65) CASP3CASP7CASP1CASP9CASP4
SCHEMBL20052371 0.91 CASP3 (0.65) CASP3CASP7CASP1CASP9CASP4
SCHEMBL15462695 0.91 CASP3 (0.65) CASP3CASP7CASP1CASP9CASP4
SCHEMBL20052456 0.89 CASP3 (0.62) CASP3CASP7CASP1CASP9CASP4
SCHEMBL7887293 0.88 CASP3 (1.00) 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