SCHEMBL6433114

SCHEMBL6433114

NC(=O)/C(O)=C\C1CCCCC1

nearest known ligand 0.44

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
GRIK1 P39086 2/20 0.44
GRIK2 Q13002 1/20 0.42
EPHX1 P07099 5/20 0.37
CES2 O00748 1/20 0.33
CES1 P23141 1/20 0.33
ALOX5 P09917 1/20 0.32
HTT P42858 1/20 0.31
NPC1 O15118 1/20 0.31
GAA P10253 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
ALDH1A1 P00352 1/20 0.31
GRIN1 Q05586 1/20 0.30
GRIN2B Q13224 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
SCHEMBL6474117 0.81 GRIK1 (0.47) GRIK1GRIK2EPHX1CES2CES1
SCHEMBL5698394 0.81 GRIK1 (0.47) GRIK1GRIK2EPHX1CES2CES1
SCHEMBL5698392 0.81 GRIK1 (0.47) GRIK1GRIK2EPHX1CES2CES1
SCHEMBL6474115 0.81 GRIK1 (0.47) GRIK1GRIK2EPHX1CES2CES1
SCHEMBL17077032 0.79 GRIK1 (0.42) GRIK1GRIK2EPHX1CES2CES1
SCHEMBL17077033 0.79 GRIK1 (0.42) GRIK1GRIK2EPHX1CES2CES1
SCHEMBL585162 0.76 GRIK1 (0.40) GRIK1GRIK2EPHX1CES2CES1
SCHEMBL7671245 0.76 GRIK1 (0.40) GRIK1GRIK2EPHX1CES2CES1
SCHEMBL6666614 0.76 CES2 (0.42) GRIK1GRIK2EPHX1CES2CES1
SCHEMBL4086059 0.76 GRIK1 (0.40) GRIK1GRIK2EPHX1CES2CES1

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
EP-1591462-A2 Temperature-responsive polymer compound and process for producing the same Amersham Biosciences KK (JP) 2005-11-02 EP disclosed
US-20050224415-A1 Temperature-responsive polymer compound and process for producing the same AMERSHAM BIOSCIENCES KK 2005-10-13 US disclosed
EP-1153049-A1 TEMPERATURE-RESPONSIVE POLYMER COMPOUND AND PROCESS FOR PRODUCING THE SAME Amersham Pharmacia Biotech K.K. (JP) 2001-11-14 EP disclosed
WO-2000044800-A1 TEMPERATURE-RESPONSIVE POLYMER COMPOUND AND PROCESS FOR PRODUCING THE SAME AMERSHAM PHARMACIA BIOTECH K.K. (JP) 2000-08-03 WO disclosed