Sugi Predict

Sugi Predict / Compounds / SCHEMBL8823965

SCHEMBL8823965

SCHEMBL8823965

COCC(=O)[C@@H](CCCCN)NC(=O)[C@H](CC(C)C)NC(=O)OCc1ccccc1

nearest known ligand 0.58

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ CTSK P43235 10/20 0.58
▸ MMP3 P08254 1/20 0.56
▸ CAPN1 P07384 2/20 0.55
▸ CTSS P25774 2/20 0.55
▸ CTSL P07711 2/20 0.55
▸ CTSB P07858 1/20 0.55

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
SCHEMBL8823907 1.00 CTSK (0.58) CTSKMMP3CAPN1CTSSCTSL
SCHEMBL8823892 0.89 CTSK (0.69) CTSKCAPN1CTSSCTSLCTSB
SCHEMBL7764593 0.88 CTSL (0.65) CTSKCAPN1CTSSCTSLCTSB
SCHEMBL7315453 0.86 CAPN1 (0.70) CTSKCAPN1CTSSCTSLCTSB
SCHEMBL7315481 0.86 CAPN1 (0.70) CTSKCAPN1CTSSCTSLCTSB
SCHEMBL30065121 0.85 CTSK (0.58) CTSKMMP3CAPN1CTSSCTSL
SCHEMBL8823953 0.85 CTSK (0.54) CTSKCAPN1CTSSCTSLCTSB
SCHEMBL20173868 0.85 CTSL (0.69) CTSKMMP3CAPN1CTSSCTSL
SCHEMBL8823929 0.84 CTSK (0.67) CTSKCAPN1CTSSCTSLCTSB
SCHEMBL8823925 0.84 CTSK (0.67) CTSKCAPN1CTSSCTSLCTSB

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
WO-1997049668-A1 INHIBITIORS OF CYSTEINE PROTEASE SMITHKLINE BEECHAM CORPORATION (US) 1997-12-31 — — WO claimed
WO-1997049668-A1 INHIBITIORS OF CYSTEINE PROTEASE SMITHKLINE BEECHAM CORPORATION (US) 1997-12-31 — — WO disclosed