SCHEMBL7800946

SCHEMBL7800946

CC(C)(C)OC(=O)N(CCc1ccccc1)CC(=O)COCc1ccccc1

nearest known ligand 0.49

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 4/20 0.49
HDAC3 O15379 1/20 0.42
HDAC1 Q13547 1/20 0.42
HDAC2 Q92769 1/20 0.42
NCOR2 Q9Y618 1/20 0.42
NPC1 O15118 2/20 0.40
NPSR1 Q6W5P4 1/20 0.40
MEN1 O00255 1/20 0.40
RAB9A P51151 1/20 0.40
KMT2A Q03164 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
PPARA Q07869 1/20 0.39
CTSS P25774 3/20 0.37
LTB4R Q15722 2/20 0.37
LTB4R2 Q9NPC1 2/20 0.37
CTSL P07711 1/20 0.37
CTSB P07858 1/20 0.37
CTSK P43235 1/20 0.36
ALOX5 P09917 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
SCHEMBL7796787 0.84 L3MBTL1 (0.40) L3MBTL1HDAC3HDAC1HDAC2NCOR2
SCHEMBL3050230 0.83 MEN1 (0.46) L3MBTL1HDAC3HDAC1HDAC2NCOR2
SCHEMBL6676150 0.82 L3MBTL1 (0.46) L3MBTL1HDAC3HDAC1HDAC2NCOR2
SCHEMBL7730448 0.80 HDAC1 (0.45) L3MBTL1HDAC3HDAC1HDAC2NCOR2
SCHEMBL6676419 0.80 L3MBTL1 (0.43) L3MBTL1HDAC3HDAC1HDAC2NCOR2
SCHEMBL5668185 0.79 HDAC1 (0.45) L3MBTL1HDAC3HDAC1HDAC2NCOR2
SCHEMBL9823156 0.79 HDAC1 (0.54) L3MBTL1HDAC3HDAC1HDAC2NCOR2
SCHEMBL4781274 0.79 HDAC3 (0.48) L3MBTL1HDAC3HDAC1HDAC2NCOR2
SCHEMBL1845666 0.78 MEN1 (0.46) L3MBTL1HDAC3HDAC1HDAC2NCOR2
SCHEMBL18845331 0.78 HDAC3 (0.50) L3MBTL1HDAC3HDAC1HDAC2NCOR2

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