SCHEMBL7014356

SCHEMBL7014356

O=C1COC2CCN(C(=O)C(CC(=O)N3C=C4CC=CC=C4C3)Cc3ccc(O)cc3)C12

nearest known ligand 0.37

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CTSK P43235 4/20 0.37
CTSS P25774 6/20 0.36
CTSV O60911 4/20 0.35
CTSL P07711 3/20 0.35
DPP4 P27487 1/20 0.31
SMYD3 Q9H7B4 1/20 0.31

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
SCHEMBL4457969 0.78 HDAC8 (0.44) CTSKCTSSCTSVCTSLDPP4
SCHEMBL6956963 0.77 MMP1 (0.35)
SCHEMBL4449833 0.76 HDAC8 (0.48) CTSKCTSSCTSVCTSLDPP4
SCHEMBL4457715 0.74 CTSS (0.45) CTSKCTSSCTSVCTSL
SCHEMBL5255403 0.73 CTSS (0.44) CTSKCTSSCTSVCTSLDPP4
SCHEMBL5098324 0.72 DPP4 (0.58) CTSKCTSSCTSVCTSLDPP4
SCHEMBL7019264 0.67 CTSS (0.41) CTSKCTSSCTSVCTSL
SCHEMBL5256719 0.67 DPP4 (0.59) DPP4
SCHEMBL7100155 0.66 CTSS (0.70) CTSKCTSSCTSVCTSL
SCHEMBL13677164 0.66 CTSS (0.70) CTSKCTSSCTSVCTSL

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