SCHEMBL7154653

SCHEMBL7154653

CC(C)CC(NC(=O)Cc1ccccc1)C(=O)N1CC[C@@H]2OCC(=O)C21

nearest known ligand 0.64

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CTSK P43235 7/20 0.64
CTSS P25774 4/20 0.56
CTSL P07711 4/20 0.56
CTSV O60911 3/20 0.56
ITGB1 P05556 4/20 0.46
ITGA4 P13612 4/20 0.46
CCR1 P32246 3/20 0.46
CASP1 P29466 1/20 0.44
CASP3 P42574 1/20 0.44
PSEN1 P49768 1/20 0.43
PSEN2 P49810 1/20 0.43
APH1B Q8WW43 1/20 0.43
NCSTN Q92542 1/20 0.43
APH1A Q96BI3 1/20 0.43
PSENEN Q9NZ42 1/20 0.43

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
SCHEMBL13677208 1.00 CTSK (0.64) CTSKCTSSCTSLCTSVITGB1
SCHEMBL6807727 1.00 CTSK (0.64) CTSKCTSSCTSLCTSVITGB1
SCHEMBL4451492 1.00 CTSK (0.64) CTSKCTSSCTSLCTSVITGB1
SCHEMBL6797511 0.94 CTSK (0.57) CTSKCTSSCTSLCTSVITGB1
SCHEMBL13677249 0.90 CTSK (0.61) CTSKCTSSCTSLCTSVCCR1
SCHEMBL4453013 0.90 CTSK (0.61) CTSKCTSSCTSLCTSVCCR1
SCHEMBL4451358 0.90 CTSK (0.61) CTSKCTSSCTSLCTSVCCR1
SCHEMBL7200569 0.90 CTSK (0.61) CTSKCTSSCTSLCTSVCCR1
SCHEMBL6796912 0.90 CTSS (0.60) CTSKCTSSCTSLCTSVCCR1
SCHEMBL13677211 0.90 CTSS (0.60) CTSKCTSSCTSLCTSVCCR1

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