SCHEMBL7797008

SCHEMBL7797008

CCC(C)CN(C(=O)NCCCCC(OCc1ccccc1)C(C)=O)C(=O)OC(C)(C)C

nearest known ligand 0.39

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.39
CTSK P43235 2/20 0.38
TPSAB1 Q15661 2/20 0.37
TPSD1 Q9BZJ3 2/20 0.37
TPSG1 Q9NRR2 2/20 0.37
SYK P43405 1/20 0.37
L3MBTL1 Q9Y468 2/20 0.36
FOLH1 Q04609 1/20 0.35
HDAC2 Q92769 2/20 0.35
HDAC3 O15379 1/20 0.35
HDAC1 Q13547 1/20 0.35
NCOR2 Q9Y618 1/20 0.35
KLK7 P49862 1/20 0.34
KLK5 Q9Y337 1/20 0.34
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
RECQL P46063 1/20 0.34
ALDH1A1 P00352 1/20 0.34
HPGD P15428 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
SCHEMBL7799736 0.76 L3MBTL1 (0.40) MAPTSYKL3MBTL1HDAC2HDAC3
SCHEMBL7137802 0.74 CTSK (0.44) CTSKSYKHDAC2HDAC3HDAC1
SCHEMBL7139230 0.70 CTSD (0.46) MAPTCTSKL3MBTL1HDAC1MEN1
SCHEMBL27700677 0.69 CETP (0.51) HDAC2MEN1KMT2AALDH1A1HPGD
SCHEMBL13334305 0.68 MAPT (0.55) MAPTSYKL3MBTL1KLK7KLK5
SCHEMBL7797006 0.67 L3MBTL1 (0.45) CTSKL3MBTL1HDAC2HDAC3HDAC1
SCHEMBL6182061 0.67 CTSS (0.54) CTSK
SCHEMBL20147826 0.66 ALDH1A1 (0.50) MAPTCTSKL3MBTL1KMT2AALDH1A1
SCHEMBL3422485 0.66 CPB2 (0.33) CTSK
SCHEMBL20330727 0.65 SYK (0.45) CTSKSYKL3MBTL1HDAC2HDAC3

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-1159260-A1 NOVEL COMPOUNDS AND COMPOSITIONS AS PROTEASE INHIBITORS AXYS PHARMACEUTICALS, INC. (US) 2001-12-05 EP disclosed
WO-2000055124-A2 NOVEL COMPOUNDS AND COMPOSITIONS AS PROTEASE INHIBITORS AXYS PHARMACEUTICALS, INC. (US) 2000-09-21 WO disclosed