SCHEMBL8650210

SCHEMBL8650210

COc1ccccc1N(CC(O)CS(=O)(=O)O)OC

nearest known ligand 0.46

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.44
HPGD P15428 2/20 0.44
POLB P06746 1/20 0.44
GAA P10253 2/20 0.43
HTT P42858 1/20 0.42
ESR1 P03372 1/20 0.41
KMT2A Q03164 4/20 0.41
MEN1 O00255 3/20 0.40
NPSR1 Q6W5P4 1/20 0.38
PAX8 Q06710 1/20 0.36
TLR9 Q9NR96 1/20 0.36
SLC6A2 P23975 1/20 0.36
SLC6A4 P31645 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
SCHEMBL6480203 0.99 LMNA (0.46) LMNAHPGDPOLBGAAHTT
SCHEMBL6480197 0.87 LMNA (0.42) LMNAHPGDPOLBGAAHTT
SCHEMBL6829518 0.74 ESR1 (0.38) LMNAHPGDPOLBGAAHTT
SCHEMBL6130324 0.74 ESR1 (0.38) LMNAHPGDPOLBGAAHTT
SCHEMBL2214193 0.70 CA1 (0.48) LMNAHTTESR1SLC6A2SLC6A4
SCHEMBL3794136 0.70 PER2 (0.44) LMNAHPGDGAAHTTESR1
Potassium SCHEMBL5140869 0.69 PER2 (0.43) LMNAHPGDGAAHTTESR1
SCHEMBL9822605 0.68 ESR1 (0.47) LMNAHPGDPOLBESR1PAX8
SCHEMBL6129999 0.68 APEX1 (0.34) LMNAHPGDHTTKMT2AMEN1
SCHEMBL6253134 0.67 PER2 (0.41) LMNAHPGDHTTESR1NPSR1

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5790627-A Method and apparatus for observing a specimen using an X-ray microscope RESEARCH DEVELOPMENT CORP. (JP) 1998-08-04 US disclosed