SCHEMBL7768956

SCHEMBL7768956

CC(C)(C)OC(=O)NCc1ccc(CNC(=O)C(O)C(O)C(=O)NCc2ccc(CNC(=O)OC(C)(C)C)cc2)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.52
NAMPT P43490 2/20 0.50
GAA P10253 1/20 0.50
CA1 P00915 3/20 0.47
CA2 P00918 2/20 0.47
MAPT P10636 3/20 0.46
NPSR1 Q6W5P4 2/20 0.46
RECQL P46063 1/20 0.46
SDCBP O00560 1/20 0.46
SDC2 P34741 1/20 0.46
HDAC1 Q13547 2/20 0.46
TDP1 Q9NUW8 2/20 0.44
KDM4A O75164 1/20 0.44
CA12 O43570 1/20 0.43
CA7 P43166 1/20 0.43
CA14 Q9ULX7 1/20 0.43
CTSK P43235 1/20 0.43
XBP1 P17861 1/20 0.43
GPR55 Q9Y2T6 1/20 0.43
ATM Q13315 1/20 0.43

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
SCHEMBL7768959 1.00 L3MBTL1 (0.52) L3MBTL1NAMPTGAACA1CA2
SCHEMBL3180689 0.88 L3MBTL1 (0.61) L3MBTL1NAMPTGAACA1CA2
SCHEMBL8210875 0.84 NAMPT (0.54) L3MBTL1NAMPTGAACA1CA2
SCHEMBL8372079 0.82 L3MBTL1 (0.56) L3MBTL1NAMPTGAACA1CA2
SCHEMBL1164796 0.82 L3MBTL1 (0.56) L3MBTL1NAMPTGAACA1CA2
SCHEMBL506202 0.82 GAA (0.57) L3MBTL1NAMPTGAACA1CA2
SCHEMBL12685839 0.82 L3MBTL1 (0.56) L3MBTL1NAMPTGAACA1CA2
SCHEMBL5796279 0.82 L3MBTL1 (0.56) L3MBTL1NAMPTGAACA1CA2
SCHEMBL15259134 0.82 L3MBTL1 (0.56) L3MBTL1NAMPTGAACA1CA2
SCHEMBL38655668 0.81 L3MBTL1 (0.52) L3MBTL1NAMPTGAACA1CA2

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-0741128-B1 Sulphuric acid esters of sugar alcohols for the inhibition of the migration and proliferation of smooth muscle cells of the vascular walls HOFFMANN LA ROCHE (CH) 2001-06-20 EP disclosed
US-5830920-A PREVENTION GROWTH OF SMOOTH MUSCLE CELLS HOFFMANN-LA ROCHE INC. (US) 1998-11-03 US disclosed
EP-0741128-A2 Sulphuric acid esters of sugar alcohols for the inhibition of the migration and proliferation of smooth muscle cells of the vascular walls F. HOFFMANN-LA ROCHE AG (CH) 1996-11-06 EP disclosed