SCHEMBL7016832

SCHEMBL7016832

CC(C)(CCNC(=O)c1ccccc1)CC(=O)N1CCCC2OCC(=O)C21

nearest known ligand 0.48

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CTSS P25774 5/20 0.48
CTSV O60911 4/20 0.48
CTSL P07711 4/20 0.48
CTSK P43235 4/20 0.48
DPP4 P27487 4/20 0.43
PREP P48147 2/20 0.41
FAP Q12884 1/20 0.41
HPGD P15428 1/20 0.39
DPP7 Q9UHL4 1/20 0.38
ALDH1A1 P00352 1/20 0.38
GAA P10253 1/20 0.38
RAB9A P51151 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
ACHE P22303 1/20 0.38

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
SCHEMBL7018963 0.94 CTSS (0.53) CTSSCTSVCTSLCTSKDPP4
SCHEMBL7019912 0.85 PREP (0.44) CTSSCTSVCTSLCTSKDPP4
SCHEMBL4459112 0.82 CTSS (0.50) CTSSCTSVCTSLCTSKDPP4
SCHEMBL7017106 0.80 CTSS (0.42) CTSSCTSVCTSLCTSKDPP4
SCHEMBL4451291 0.76 CTSK (0.56) CTSSCTSVCTSLCTSKDPP4
SCHEMBL4456058 0.76 CTSK (0.38) CTSSCTSVCTSLCTSKDPP4
SCHEMBL4451610 0.76 CTSS (0.55) CTSSCTSVCTSLCTSKDPP4
SCHEMBL5254574 0.76 CTSS (0.67) CTSSCTSVCTSLCTSK
SCHEMBL7017832 0.74 RAB9A (0.45) CTSSCTSVCTSLCTSKDPP4
SCHEMBL7014847 0.73 CTSK (0.44) CTSSCTSVCTSLCTSKDPP4

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