SCHEMBL7797006

SCHEMBL7797006

CCCCCN(C(=O)COCc1ccccc1)C(=O)N(CC(C)CC)C(=O)OC(C)(C)C

nearest known ligand 0.45

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 4/20 0.45
HDAC3 O15379 1/20 0.37
HDAC1 Q13547 1/20 0.37
HDAC2 Q92769 1/20 0.37
NCOR2 Q9Y618 1/20 0.37
NPSR1 Q6W5P4 1/20 0.36
CTSK P43235 1/20 0.36

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
SCHEMBL7132828 0.79 ALDH1A1 (0.39) L3MBTL1
SCHEMBL7796787 0.78 L3MBTL1 (0.40) L3MBTL1HDAC3HDAC1HDAC2NCOR2
SCHEMBL7799736 0.77 L3MBTL1 (0.40) L3MBTL1HDAC3HDAC1HDAC2NCOR2
SCHEMBL7797009 0.76 SYK (0.45) L3MBTL1CTSK
SCHEMBL7138159 0.71 CCR6 (0.38) L3MBTL1
SCHEMBL25801927 0.71 L3MBTL1 (0.63) L3MBTL1HDAC3HDAC1HDAC2NCOR2
SCHEMBL8899583 0.70 L3MBTL1 (0.76) L3MBTL1HDAC3HDAC1HDAC2NCOR2
SCHEMBL7137846 0.69 L3MBTL1 (0.39) L3MBTL1CTSK
SCHEMBL30483146 0.69 L3MBTL1 (0.43) L3MBTL1NPSR1
SCHEMBL9781776 0.69 L3MBTL1 (0.78) L3MBTL1

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