SCHEMBL7796787

SCHEMBL7796787

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

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 4/20 0.40
NPSR1 Q6W5P4 1/20 0.35
CTSK P43235 2/20 0.35
NPC1 O15118 1/20 0.35
HDAC1 Q13547 2/20 0.35
HDAC3 O15379 1/20 0.35
HDAC2 Q92769 1/20 0.35
NCOR2 Q9Y618 1/20 0.35
SYK P43405 1/20 0.34
PPARA Q07869 1/20 0.34
HDAC6 Q9UBN7 1/20 0.33
CPB2 Q96IY4 1/20 0.33
CTSS P25774 1/20 0.33
KDM4E B2RXH2 1/20 0.33
DAGLA Q9Y4D2 1/20 0.33
CTSB P07858 1/20 0.32

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
SCHEMBL7800946 0.84 L3MBTL1 (0.49) L3MBTL1NPSR1CTSKNPC1HDAC1
SCHEMBL7799736 0.80 L3MBTL1 (0.40) L3MBTL1NPSR1NPC1HDAC1HDAC3
SCHEMBL7797006 0.78 L3MBTL1 (0.45) L3MBTL1NPSR1CTSKHDAC1HDAC3
SCHEMBL20330727 0.71 SYK (0.45) L3MBTL1NPSR1CTSKHDAC1HDAC3
SCHEMBL7137802 0.70 CTSK (0.44) CTSKHDAC1HDAC3HDAC2NCOR2
SCHEMBL4781274 0.69 HDAC3 (0.48) L3MBTL1CTSKNPC1HDAC1HDAC3
SCHEMBL7139858 0.69 CTSS (0.43) L3MBTL1CTSKPPARACTSSCTSB
SCHEMBL27460199 0.69 MEN1 (0.42) L3MBTL1NPSR1CTSKNPC1HDAC1
SCHEMBL3050230 0.68 MEN1 (0.46) L3MBTL1CTSKNPC1HDAC1HDAC3
SCHEMBL18845331 0.68 HDAC3 (0.50) L3MBTL1CTSKNPC1HDAC1HDAC3

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