SCHEMBL4469100

SCHEMBL4469100

CC(C)(C)Oc1ccc(/C=C2/NC(=O)NC2=O)cc1

nearest known ligand 0.69

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 7/20 0.69
CLK1 P49759 1/20 0.69
DYRK1A Q13627 1/20 0.69
LMNA P02545 2/20 0.56
MAPT P10636 2/20 0.56
RAB9A P51151 1/20 0.56
POLB P06746 1/20 0.56
CGAS Q8N884 1/20 0.53
MEN1 O00255 2/20 0.52
KMT2A Q03164 2/20 0.52
HPGD P15428 1/20 0.52
PTPN1 P18031 4/20 0.51
ALDH1A1 P00352 1/20 0.50
METAP1 P53582 1/20 0.50
GAA P10253 1/20 0.49
SAE1 Q9UBE0 1/20 0.48
UBA2 Q9UBT2 1/20 0.48

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
SCHEMBL8216740 1.00 GSK3B (0.69) GSK3BCLK1DYRK1ALMNAMAPT
SCHEMBL4469105 1.00 GSK3B (0.69) GSK3BCLK1DYRK1ALMNAMAPT
SCHEMBL15421958 0.82 GSK3B (1.00) GSK3BCLK1DYRK1ALMNAMAPT
SCHEMBL1247645 0.82 GSK3B (1.00) GSK3BCLK1DYRK1ALMNAMAPT
SCHEMBL1247647 0.82 GSK3B (1.00) GSK3BCLK1DYRK1ALMNAMAPT
SCHEMBL12821679 0.81 GSK3B (0.81) GSK3BCLK1DYRK1ALMNAMAPT
SCHEMBL12821680 0.81 GSK3B (0.81) GSK3BCLK1DYRK1ALMNAMAPT
SCHEMBL15302978 0.79 GSK3B (0.62) GSK3BCLK1DYRK1ALMNAMAPT
SCHEMBL15302979 0.79 GSK3B (0.62) GSK3BCLK1DYRK1ALMNAMAPT
SCHEMBL10750988 0.76 GSK3B (0.68) GSK3BCLK1DYRK1ALMNAMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8188130-B1 Anti-cancer hydantoin compounds and methods UNIVERSITY OF LOUISIANA AT MONROE (US) 2012-05-29 US claimed
US-8188130-B1 Anti-cancer hydantoin compounds and methods UNIVERSITY OF LOUISIANA AT MONROE (US) 2012-05-29 US disclosed
US-20090029429-A1 Process for Producing Optically Active 2-Substituent-Oxy-3-(4-Substituent-Oxyphenyl) Propionic Acid Derivative KANEKA CORPORATION (JP) 2009-01-29 US disclosed
EP-1801224-A1 PROCESS FOR PRODUCING OPTICALLY ACTIVE 2-SUBSTITUENT-OXY-3-(4-SUBSTITUENT-OXYPHENYL)­PROPIONIC ACID DERIVATIVE Kaneka Corporation (JP) 2007-06-27 EP disclosed