Sugi Predict

Sugi Predict / Compounds / SCHEMBL8823901

SCHEMBL8823901

SCHEMBL8823901

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

nearest known ligand 0.63

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ CTSL P07711 5/20 0.63
▸ CTSB P07858 3/20 0.63
▸ CTSK P43235 11/20 0.62
▸ CTSS P25774 3/20 0.59
▸ CAPN1 P07384 3/20 0.57
▸ 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
SCHEMBL8823879 0.94 CTSL (0.66) CTSLCTSBCTSKCTSSCAPN1
SCHEMBL8823873 0.93 CTSL (0.69) CTSLCTSBCTSKCTSSCAPN1
SCHEMBL8823874 0.89 CTSK (0.65) CTSLCTSBCTSKCTSSCAPN1
SCHEMBL7304916 0.88 CTSL (0.61) CTSLCTSBCTSKCTSSCAPN1
SCHEMBL7304926 0.88 CTSL (0.61) CTSLCTSBCTSKCTSSCAPN1
SCHEMBL7312669 0.87 CTSK (0.67) CTSLCTSBCTSKCTSSCAPN1
SCHEMBL7312656 0.87 CTSK (0.67) CTSLCTSBCTSKCTSSCAPN1
SCHEMBL7310521 0.86 CAPN1 (0.61) CTSLCTSBCTSKCTSSCAPN1
SCHEMBL7310532 0.86 CAPN1 (0.61) CTSLCTSBCTSKCTSSCAPN1
SCHEMBL7304170 0.85 CAPN1 (0.62) CTSLCTSBCTSKCTSSCAPN1

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