SCHEMBL5046067

SCHEMBL5046067

N[C@H](CS(=O)(=O)O)C(=O)O.[Hg]

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS1 P23219 1/20 0.44
SLC7A11 Q9UPY5 1/20 0.44
PMP22 Q01453 2/20 0.43
KYNU Q16719 2/20 0.43
NOS2 P35228 1/20 0.43
GCLC P48506 1/20 0.41
SLC1A1 P43005 4/20 0.41
SLC1A3 P43003 3/20 0.41
SLC1A2 P43004 3/20 0.41
GSR P00390 2/20 0.41
GRIK1 P39086 2/20 0.41
GRIK2 Q13002 2/20 0.41
GRM1 Q13255 2/20 0.41
GRM2 Q14416 2/20 0.41
SLC7A5 Q01650 1/20 0.41
GRM8 O00222 1/20 0.41
GRM6 O15303 1/20 0.41
GRIN2D O15399 1/20 0.41
GRIN3B O60391 1/20 0.41
CYP1A2 P05177 1/20 0.41

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
SCHEMBL44031 0.97 PTGS1 (0.46) PTGS1SLC7A11PMP22KYNUNOS2
SCHEMBL30600100 0.97 PTGS1 (0.46) PTGS1SLC7A11PMP22KYNUNOS2
SCHEMBL180559 0.97 PTGS1 (0.46) PTGS1SLC7A11PMP22KYNUNOS2
SCHEMBL44030 0.97 PTGS1 (0.46) PTGS1SLC7A11PMP22KYNUNOS2
SCHEMBL1395227 0.97 PTGS1 (0.46) PTGS1SLC7A11PMP22KYNUNOS2
SCHEMBL21518548 0.97 PTGS1 (0.46) PTGS1SLC7A11PMP22KYNUNOS2
Water SCHEMBL1157748 0.95 PTGS1 (0.44) PTGS1SLC7A11PMP22KYNUNOS2
SCHEMBL5654195 0.95 PTGS1 (0.44) PTGS1SLC7A11PMP22KYNUNOS2
SCHEMBL22720617 0.95 PTGS1 (0.44) PTGS1SLC7A11PMP22KYNUNOS2
SCHEMBL6570277 0.95 PTGS1 (0.44) PTGS1SLC7A11PMP22KYNUNOS2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1410028-B1 IMMOBILISATION OF PROTEINS AND ELECTROACTIVE COMPOUNDS ON A SENSOR SURFACE BY MEANS OF A HYDROPHOBIN COATING APPLIED NANOSYSTEMS BV (NL) 2008-12-10 EP disclosed
US-7393448-B2 Method of binding a compound to a sensor surface APPLIED NANOSYSTEMS B.V. (NL) 2008-07-01 US disclosed
US-20040224137-A1 Method of binding a compound to a sensor surface APPLIED NANOSYSTEMS B.V. (NL) 2004-11-11 US disclosed
EP-1410028-A2 IMMOBILISATION OF PROTEINS AND ELECTROACTIVE COMPOUNDS ON A SENSOR SURFACE BY MEANS OF A HYDROPHOBIN COATING Applied NanoSystems B.V. (NL) 2004-04-21 EP disclosed
WO-2003010331-A2 IMMOBILISATION OF PROTEINS AND ELECTROACTIVE COMPOUNDS ON A SENSOR SURFACE BY MEANS OF A HYDROPHOBIN COATING APPLIED NANOSYSTEMS B.V. (NL) 2003-02-06 WO disclosed
EP-1279742-A1 Method of binding a compound to a sensor surface using hydrophobin Applied NanoSystems B.V. (NL) 2003-01-29 EP disclosed