SCHEMBL4425947

SCHEMBL4425947

N#CN1CCCCN1C(=O)OCc1ccccc1Cl

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTSK P43235 5/20 0.43
CTSL P07711 4/20 0.43
CTSB P07858 4/20 0.43
FNTA P49354 1/20 0.43
FNTB P49356 1/20 0.43
PGGT1B P53609 1/20 0.43
ALDH1A1 P00352 3/20 0.41
CASP3 P42574 2/20 0.40
SENP8 Q96LD8 2/20 0.40
SENP7 Q9BQF6 2/20 0.40
SENP6 Q9GZR1 2/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
MEN1 O00255 1/20 0.40
PKM P14618 1/20 0.40
KMT2A Q03164 1/20 0.40
POLB P06746 1/20 0.40
F13A1 P00488 1/20 0.40
TGM2 P21980 1/20 0.40
TGM1 P22735 1/20 0.40
ENPP2 Q13822 1/20 0.40

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
SCHEMBL4429871 0.81 CTSK (0.61) CTSKCTSLCTSBALDH1A1L3MBTL1
SCHEMBL3927885 0.80 CTSK (0.60) CTSKCTSLCTSBALDH1A1L3MBTL1
SCHEMBL4107743 0.79 CTSK (0.58) CTSKCTSLCTSBALDH1A1L3MBTL1
SCHEMBL16825111 0.78 ALDH1A1 (0.57) FNTAFNTBPGGT1BALDH1A1L3MBTL1
SCHEMBL4121338 0.76 CTSK (0.47) CTSKCTSLCTSBALDH1A1MEN1
SCHEMBL3915522 0.76 CTSK (0.44) CTSKCTSLCTSBALDH1A1L3MBTL1
SCHEMBL28123156 0.74 ENPP2 (0.54) FNTAFNTBPGGT1BALDH1A1F13A1
SCHEMBL4104897 0.72 CTSK (0.44) CTSKCTSLCTSBL3MBTL1MEN1
SCHEMBL4112483 0.72 CTSK (0.45) CTSKCTSLCTSBALDH1A1CASP3
SCHEMBL14529138 0.71 ENPP2 (0.53) ALDH1A1L3MBTL1MEN1KMT2APOLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1858509-A4 NOVEL CATHEPSIN C INHIBITORS AND THEIR USE GLAXO GROUP LTD (GB) 2009-03-18 EP disclosed
EP-1858509-A1 NOVEL CATHEPSIN C INHIBITORS AND THEIR USE GLAXO GROUP LIMITED (GB) 2007-11-28 EP disclosed
WO-2006094003-A1 NOVEL CATHEPSIN C INHIBITORS AND THEIR USE GLAXO GROUP LIMITED (GB) 2006-09-08 WO disclosed