SCHEMBL6602953

SCHEMBL6602953

CCCCC(NC(=O)O)C(=O)C(=O)NCc1cccnc1

nearest known ligand 0.73

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CTSK P43235 7/20 0.73
CTSV O60911 1/20 0.53
CTSB P07858 1/20 0.53
CTSS P25774 1/20 0.53
PKM P14618 1/20 0.51
KMT2A Q03164 1/20 0.51
TRPV1 Q8NER1 1/20 0.50
FAAH O00519 2/20 0.48
MAPT P10636 1/20 0.47
RECQL P46063 1/20 0.47
ALDH1A1 P00352 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.46
LMNA P02545 1/20 0.46
HPGD P15428 1/20 0.46
HTT P42858 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46

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
SCHEMBL6602938 1.00 CTSK (0.73) CTSKCTSVCTSBCTSSPKM
SCHEMBL6605883 0.86 CTSK (0.71) CTSKMAPTALDH1A1L3MBTL1LMNA
SCHEMBL6605878 0.86 CTSK (0.71) CTSKMAPTALDH1A1L3MBTL1LMNA
SCHEMBL5636660 0.82 CTSK (0.63) CTSKCTSVCTSBCTSSPKM
SCHEMBL5636688 0.82 CTSK (0.63) CTSKCTSVCTSBCTSSPKM
SCHEMBL14943570 0.81 CTSK (0.60) CTSKPKMKMT2ATRPV1MAPT
SCHEMBL6601981 0.79 PKM (0.56) CTSKPKMKMT2ATRPV1FAAH
SCHEMBL16317048 0.78 CTSK (0.57) CTSKCTSVCTSBCTSSPKM
SCHEMBL12330547 0.77 KMT2A (0.56) CTSKPKMKMT2ATRPV1MAPT
SCHEMBL13101028 0.76 PKM (0.61) CTSKPKMKMT2AMAPTRECQL

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-1411933-A1 ALPHA-KETOAMIDE DERIVATIVES AS CATHEPSIN K INHIBITORS SmithKline Beecham Corporation (US) 2004-04-28 EP claimed
WO-2003013518-A1 ALPHA-KETOAMIDE DERIVATIVES AS CATHEPSIN K INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2003-02-20 WO claimed
EP-1411933-A1 ALPHA-KETOAMIDE DERIVATIVES AS CATHEPSIN K INHIBITORS SmithKline Beecham Corporation (US) 2004-04-28 EP disclosed
WO-2003013518-A1 ALPHA-KETOAMIDE DERIVATIVES AS CATHEPSIN K INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2003-02-20 WO disclosed