SCHEMBL3404801

SCHEMBL3404801

C=CC(=O)NC(O)CC.CCC/C=C(\O)C(N)=O

nearest known ligand 0.36

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.36
GRIK1 P39086 1/20 0.32
GRIK2 Q13002 1/20 0.32
ZDHHC20 Q5W0Z9 1/20 0.31
ZDHHC2 Q9UIJ5 1/20 0.31

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
SCHEMBL108995 0.79
SCHEMBL1065203 0.79 TSHR (0.54) TSHRZDHHC20ZDHHC2
SCHEMBL367396 0.76
SCHEMBL3221896 0.76
SCHEMBL25398035 0.71 TSHR (0.55) TSHRGRIK1GRIK2ZDHHC20ZDHHC2
SCHEMBL4889332 0.69 TAS1R3 (0.39)
SCHEMBL399092 0.69 TSHR (0.50) TSHRZDHHC20ZDHHC2
SCHEMBL16699167 0.67 GRIK1 (0.32) GRIK1GRIK2
SCHEMBL6535870 0.66 ZDHHC20 (0.47) TSHRZDHHC20ZDHHC2
Acrylic Acid SCHEMBL16180404 0.66 LMNA (0.42) TSHR

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-2257796-A2 METHOD FOR THE PURIFICATION OF BIOLOGICAL MACROMOLECULES Oregon Health and Science University (US) 2010-12-08 EP disclosed
WO-2009114315-A2 METHOD FOR THE PURIFICATION OF BIOLOGICAL MACROMOLECULES OREGON HEALTH & SCIENCE UNVIERSITY (US) 2009-09-17 WO disclosed
WO-2008051985-A2 METHOD FOR SEPARATION AND IDENTIFICATION OF BIOMOLECULES USING UNCONVENTIONAL GEL ELECTROPHORESIS AND DETECTION OF SINGLE NANOPARTICLE PROBES OREGON HEALTH & SCIENCE UNIVERSITY (US) 2008-05-02 WO disclosed