SCHEMBL3404807

SCHEMBL3404807

C=C(CCCO)C(N)=O.C=CC(=O)NCCCO

nearest known ligand 0.45

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ZDHHC20 Q5W0Z9 1/20 0.45
ZDHHC2 Q9UIJ5 1/20 0.45
ALDH1A1 P00352 1/20 0.38
TSHR P16473 1/20 0.38
MAPK1 P28482 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
TGM2 P21980 3/20 0.34
GAA P10253 1/20 0.34
MAPT P10636 1/20 0.31
CNR1 P21554 1/20 0.31
EPHX2 P34913 1/20 0.30
HTT P42858 1/20 0.30

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
SCHEMBL30819481 0.90 ZDHHC20 (0.50) ZDHHC20ZDHHC2ALDH1A1TSHRMAPK1
Acrylamide SCHEMBL28463277 0.83 ZDHHC20 (0.53) ZDHHC20ZDHHC2ALDH1A1TSHRMAPK1
SCHEMBL22721386 0.83 TSHR (0.46) ZDHHC20ZDHHC2ALDH1A1TSHRMAPK1
SCHEMBL8403690 0.83 ZDHHC20 (0.60) ZDHHC20ZDHHC2ALDH1A1TSHRMAPK1
SCHEMBL1065204 0.82 ZDHHC20 (0.61) ZDHHC20ZDHHC2ALDH1A1TSHRMAPK1
SCHEMBL36683 0.82
SCHEMBL28204287 0.81 ZDHHC20 (0.58) ZDHHC20ZDHHC2ALDH1A1TDP1MAPT
Hydrochloric Acid SCHEMBL28790272 0.80 ZDHHC20 (0.59) ZDHHC20ZDHHC2ALDH1A1TSHRMAPK1
SCHEMBL28672190 0.80 ZDHHC20 (0.51) ZDHHC20ZDHHC2ALDH1A1TSHRMAPK1
SCHEMBL11741922 0.79 ZDHHC20 (0.54) ZDHHC20ZDHHC2ALDH1A1TSHRMAPK1

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