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Sugi Predict / Compounds / SCHEMBL8823903

SCHEMBL8823903

SCHEMBL8823903

CCOCC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CC(C)C)NC(=O)OCc1ccccc1

nearest known ligand 0.59

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ CTSK P43235 11/20 0.59
▸ CTSL P07711 4/20 0.56
▸ CTSS P25774 3/20 0.56
▸ CTSB P07858 3/20 0.56
▸ CAPN1 P07384 3/20 0.55
▸ CAPN2 P17655 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
SCHEMBL8823893 1.00 CTSK (0.59) CTSKCTSLCTSSCTSBCAPN1
SCHEMBL8823943 0.92 CTSK (0.66) CTSKCTSLCTSSCTSBCAPN1
SCHEMBL8823912 0.88 CTSK (0.65) CTSKCTSLCTSSCTSBCAPN1
SCHEMBL8823951 0.87 CAPN1 (0.63) CTSKCTSLCTSSCTSBCAPN1
SCHEMBL8823960 0.87 CAPN1 (0.58) CTSKCTSLCTSSCTSBCAPN1
SCHEMBL31094975 0.87 CTSK (0.67) CTSKCTSLCTSSCTSBCAPN1
SCHEMBL5827200 0.87 CTSK (0.67) CTSKCTSLCTSSCTSBCAPN1
SCHEMBL8823920 0.86 CTSK (0.61) CTSKCTSLCTSSCTSBCAPN1
SCHEMBL8823894 0.85 CTSK (0.69) CTSKCTSLCTSSCTSBCAPN1
SCHEMBL16770328 0.85 CTSK (0.65) CTSKCTSLCTSSCTSBCAPN1

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