SCHEMBL7018963

SCHEMBL7018963

CC(C)(CCNC(=O)c1ccccc1)CC(=O)N1CCC2OCC(=O)C21

nearest known ligand 0.53

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CTSS P25774 6/20 0.53
CTSV O60911 4/20 0.52
CTSK P43235 4/20 0.52
CTSL P07711 3/20 0.52
ACHE P22303 1/20 0.39
DPP4 P27487 1/20 0.38
HPGD P15428 1/20 0.38
KDM4E B2RXH2 2/20 0.37
RAB9A P51151 2/20 0.37
PKM P14618 1/20 0.37
PRSS1 P07477 1/20 0.37
CTSG P08311 1/20 0.37
CTRB1 P17538 1/20 0.37
CMA1 P23946 1/20 0.37
NPC1 O15118 1/20 0.37
ALDH1A1 P00352 1/20 0.37
GAA P10253 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37

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
SCHEMBL7016832 0.94 CTSS (0.48) CTSSCTSVCTSKCTSLACHE
SCHEMBL7017106 0.85 CTSS (0.42) CTSSCTSVCTSKCTSLACHE
SCHEMBL4451610 0.82 CTSS (0.55) CTSSCTSVCTSKCTSLDPP4
SCHEMBL7019912 0.80 PREP (0.44) CTSSCTSVCTSKCTSLACHE
SCHEMBL4459112 0.76 CTSS (0.50) CTSSCTSVCTSKCTSLDPP4
SCHEMBL4452668 0.76 CTSK (0.62) CTSSCTSVCTSKCTSLHPGD
SCHEMBL4449804 0.75 CTSK (0.44) CTSSCTSVCTSKCTSL
SCHEMBL4457938 0.75 CTSS (0.47) CTSSCTSVCTSKCTSLKDM4E
SCHEMBL5255097 0.74 CTSS (0.72) CTSSCTSVCTSKCTSL
SCHEMBL7020985 0.73 CTSK (0.46) CTSSCTSVCTSKCTSLDPP4

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