SCHEMBL1065204

SCHEMBL1065204

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

nearest known ligand 0.61

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ZDHHC20 Q5W0Z9 1/20 0.61
ZDHHC2 Q9UIJ5 1/20 0.61
ALDH1A1 P00352 2/20 0.54
TSHR P16473 2/20 0.54
TDP1 Q9NUW8 2/20 0.54
MAPK1 P28482 1/20 0.54
TGM2 P21980 4/20 0.42
GAA P10253 1/20 0.42
MAPT P10636 1/20 0.41
CA1 P00915 2/20 0.38
CA2 P00918 2/20 0.38
CA12 O43570 1/20 0.38
CA9 Q16790 1/20 0.38
PTGS1 P23219 1/20 0.37
KCNH2 Q12809 1/20 0.37
EPHX2 P34913 1/20 0.35
HTT P42858 1/20 0.35
CNR1 P21554 1/20 0.35

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
SCHEMBL36683 1.00
Hydrochloric Acid SCHEMBL28790272 0.98 ZDHHC20 (0.59) ZDHHC20ZDHHC2ALDH1A1TSHRTDP1
SCHEMBL155436 0.93 ZDHHC20 (0.64) ZDHHC20ZDHHC2ALDH1A1TSHRTDP1
Acrylamide SCHEMBL28463277 0.92 ZDHHC20 (0.53) ZDHHC20ZDHHC2ALDH1A1TSHRTDP1
SCHEMBL28687748 0.92 ZDHHC20 (0.53) ZDHHC20ZDHHC2ALDH1A1TSHRTDP1
SCHEMBL24652920 0.91 ZDHHC20 (0.68) ZDHHC20ZDHHC2ALDH1A1TSHRTDP1
SCHEMBL3775886 0.91 ZDHHC20 (0.68) ZDHHC20ZDHHC2ALDH1A1TSHRTDP1
SCHEMBL28562520 0.91 ZDHHC20 (0.68) ZDHHC20ZDHHC2ALDH1A1TSHRTDP1
SCHEMBL442128 0.91 ZDHHC20 (0.68) ZDHHC20ZDHHC2ALDH1A1TSHRTDP1
SCHEMBL29257670 0.91 ZDHHC20 (0.68) ZDHHC20ZDHHC2ALDH1A1TSHRTDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110011742-A1 METHOD FOR THE PURIFICATION OF BIOLOGICAL MACROMOLECULES OREGON HEALTH & SCIENCE UNIVERSITY 2011-01-20 US claimed
US-20090277791-A1 METHOD FOR SEPARATION AND IDENTIFICATION OF BIOMOLECULES USING UNCONVENTIONAL GEL ELECTROPHORESIS AND DETECTION OF SINGLE NANOPARTICLE PROBES OREGON HEALTH & SCIENCE UNIVERSITY 2009-11-12 US claimed
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 claimed
US-20110011742-A1 METHOD FOR THE PURIFICATION OF BIOLOGICAL MACROMOLECULES OREGON HEALTH & SCIENCE UNIVERSITY 2011-01-20 US disclosed
US-20090277791-A1 METHOD FOR SEPARATION AND IDENTIFICATION OF BIOMOLECULES USING UNCONVENTIONAL GEL ELECTROPHORESIS AND DETECTION OF SINGLE NANOPARTICLE PROBES OREGON HEALTH & SCIENCE UNIVERSITY 2009-11-12 US disclosed