Sugi Predict

Sugi Predict / Compounds / SCHEMBL7200569

SCHEMBL7200569

SCHEMBL7200569

CC(C)CC(NC(=O)CCc1ccccc1)C(=O)N1CC[C@@H]2OCC(=O)C21

nearest known ligand 0.61

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ CTSK P43235 9/20 0.61
▸ CTSS P25774 5/20 0.54
▸ CTSV O60911 3/20 0.54
▸ CTSL P07711 3/20 0.54
▸ CCR1 P32246 5/20 0.47

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
SCHEMBL4453013 1.00 CTSK (0.61) CTSKCTSSCTSVCTSLCCR1
SCHEMBL4451358 1.00 CTSK (0.61) CTSKCTSSCTSVCTSLCCR1
SCHEMBL13677249 1.00 CTSK (0.61) CTSKCTSSCTSVCTSLCCR1
SCHEMBL4458907 0.94 CTSK (0.55) CTSKCTSSCTSVCTSLCCR1
SCHEMBL7096816 0.90 CTSS (0.58) CTSKCTSSCTSVCTSLCCR1
SCHEMBL4457823 0.90 CTSS (0.58) CTSKCTSSCTSVCTSLCCR1
SCHEMBL13677254 0.90 CTSS (0.58) CTSKCTSSCTSVCTSLCCR1
SCHEMBL4451252 0.90 CTSS (0.58) CTSKCTSSCTSVCTSLCCR1
SCHEMBL4451492 0.90 CTSK (0.64) CTSKCTSSCTSVCTSLCCR1
SCHEMBL7154653 0.90 CTSK (0.64) CTSKCTSSCTSVCTSLCCR1

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
EP-1362052-A1 INHIBITORS OF CRUZIPAIN AND OTHER CYSTEINE PROTEASES Amura Therapeutics Limited (GB) 2003-11-19 — — EP disclosed
WO-2002057270-A1 INHIBITORS OF CRUZIPAIN AND OTHER CYSTEINE PROTEASES AMURA THERAPEUTICS LIMITED (GB) 2002-07-25 — — WO disclosed