SCHEMBL6062016

SCHEMBL6062016

N#CCNC(=O)C(COC(=O)N1CCCC1)C1CCCCC1

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CTSK P43235 7/20 0.47
CTSS P25774 5/20 0.47
CTSB P07858 4/20 0.47
L3MBTL1 Q9Y468 2/20 0.42
THRB P10828 1/20 0.42
ATM Q13315 1/20 0.42
CTSL P07711 2/20 0.40
KDM4E B2RXH2 1/20 0.39
POLB P06746 1/20 0.39
CASP6 P55212 1/20 0.38
ALDH1A1 P00352 1/20 0.37
HPGD P15428 1/20 0.37
GAA P10253 1/20 0.36
ALOX15 P16050 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
CHRM1 P11229 2/20 0.35
TP53 P04637 1/20 0.34

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
SCHEMBL6061922 1.00 CTSK (0.47) CTSKCTSSCTSBL3MBTL1THRB
SCHEMBL6062154 0.98 CTSK (0.44) CTSKCTSSCTSBL3MBTL1THRB
SCHEMBL6632647 0.91 CTSS (0.45) CTSKCTSSCTSBL3MBTL1THRB
SCHEMBL6630907 0.90 KDM4E (0.41) CTSKCTSSCTSBL3MBTL1THRB
SCHEMBL6063061 0.82 CTSK (0.43) CTSKCTSSCTSBL3MBTL1CTSL
SCHEMBL5526366 0.81 L3MBTL1 (0.46) CTSKCTSSCTSBL3MBTL1THRB
SCHEMBL5523062 0.80 CTSS (0.49) CTSKCTSSCTSBCTSLKDM4E
SCHEMBL6062407 0.79 CTSS (0.42) CTSKCTSSCTSBCTSLALDH1A1
SCHEMBL6062786 0.78 CTSK (0.41) CTSKCTSSCTSBCTSLALDH1A1
SCHEMBL6062163 0.78 CTSS (0.46) CTSKCTSSCTSBCTSL

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1694357-A1 USE OF CATHEPSIN S INHIBITORS FOR TREATING AN IMMUNE RESPONSE CAUSED BY ADMINISTRATION OF A SMALL MOLECULE THERAPEUTIC OR BIOLOGIC AXYS PHARMACEUTICALS, INC. (US) 2006-08-30 EP disclosed
WO-2005058348-A1 USE OF CATHEPSIN S INHIBITORS FOR TREATING AN IMMUNE RESPONSE CAUSED BY ADMINISTRATION OF A SMALL MOLECULE THERAPEUTIC OR BIOLOGIC AXYS PHARMACEUTICALS, INC. (US) 2005-06-30 WO disclosed
EP-1397340-A2 CHEMICAL COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS AS CATHEPSIN S INHIBITORS AXYS PHARMACEUTICALS, INC. (US) 2004-03-17 EP disclosed
WO-2002098850-A2 CHEMICAL COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS AS CATHEPSIN S INHIBITORS AXYS PHARMACEUTICALS, INC. (US) 2002-12-12 WO disclosed