SCHEMBL5035381

SCHEMBL5035381

COc1ccc2sc(C(=O)Oc3ccccc3)c(OC3CCCCC3)c2c1

nearest known ligand 0.50

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
NMT1 P30419 3/20 0.50
ICAM1 P05362 2/20 0.43
SELE P16581 2/20 0.43
VCAM1 P19320 1/20 0.43
L3MBTL1 Q9Y468 3/20 0.41
TDP1 Q9NUW8 2/20 0.41
KDM4E B2RXH2 1/20 0.41
NPC1 O15118 1/20 0.41
ALDH1A1 P00352 1/20 0.41
MAPT P10636 1/20 0.41
RAB9A P51151 1/20 0.41
PDE4B Q07343 1/20 0.40
MEN1 O00255 1/20 0.39
HTT P42858 1/20 0.39
KMT2A Q03164 1/20 0.39
RXFP1 Q9HBX9 1/20 0.39
DYRK1A Q13627 1/20 0.39
EDNRA P25101 2/20 0.39

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
SCHEMBL5035380 0.86 ICAM1 (0.46) NMT1ICAM1SELEVCAM1L3MBTL1
SCHEMBL5032100 0.86 ICAM1 (0.48) NMT1ICAM1SELEVCAM1L3MBTL1
SCHEMBL5210758 0.83 ICAM1 (0.49) NMT1ICAM1SELEVCAM1L3MBTL1
SCHEMBL5211159 0.78 NPSR1 (0.52) ICAM1SELEVCAM1L3MBTL1TDP1
SCHEMBL10514815 0.72 EDNRA (0.52) NMT1L3MBTL1TDP1KDM4ENPC1
SCHEMBL5219829 0.71 EDNRA (0.54) ICAM1SELEVCAM1L3MBTL1TDP1
SCHEMBL12553302 0.71 NMT1 (0.45) NMT1ALDH1A1MEN1KMT2A
SCHEMBL6020201 0.71 KMT2A (0.51) PDE4BKMT2ADYRK1A
SCHEMBL6021010 0.71 KMT2A (0.51) PDE4BKMT2ADYRK1A
SCHEMBL4768114 0.71 KMT2A (0.51) PDE4BKMT2ADYRK1A

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-1585745-A4 FC RECEPTOR MODULATING COMPOUNDS AND COMPOSITIONS TRILLIUM THERAPEUTICS INC (CA) 2008-07-09 EP disclosed
EP-1585745-A1 FC RECEPTOR MODULATING COMPOUNDS AND COMPOSITIONS Arthron Limited (AU) 2005-10-19 EP disclosed
WO-2004058747-A1 FC RECEPTOR MODULATING COMPOUNDS AND COMPOSITIONS ARTHRON LIMITED (AU) 2004-07-15 WO disclosed