SCHEMBL4162002

SCHEMBL4162002

C=C(CC(=C)C(=O)O)C(N)=O

nearest known ligand 0.57

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 1/20 0.46
HSD17B10 Q99714 1/20 0.46
LDHA P00338 1/20 0.42
LDHB P07195 1/20 0.42
GRIK1 P39086 1/20 0.41
GRIK2 Q13002 1/20 0.41
GRM1 Q13255 1/20 0.41
GRM2 Q14416 1/20 0.41
TET2 Q6N021 5/20 0.37
TET3 O43151 1/20 0.37
TET1 Q8NFU7 1/20 0.37
TDP1 Q9NUW8 2/20 0.36
ALDH1A1 P00352 1/20 0.33
LMNA P02545 1/20 0.33
OR51E2 Q9H255 1/20 0.33
ACHE P22303 1/20 0.32

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
SCHEMBL33773 0.88 TDP1 (0.44) ALOX15HSD17B10LDHALDHBGRIK1
SCHEMBL1809603 0.85 ALOX15 (0.57) ALOX15HSD17B10LDHAGRIK1GRIK2
Itaconate SCHEMBL28511688 0.83 ALOX15 (0.65) ALOX15HSD17B10LDHALDHBGRIK1
SCHEMBL10380940 0.80
SCHEMBL514158 0.80
SCHEMBL370643 0.80
Itaconate SCHEMBL27560826 0.79 ALOX15 (0.60) ALOX15HSD17B10LDHALDHBGRIK1
Itaconate SCHEMBL28310540 0.79 ALOX15 (0.54) ALOX15HSD17B10LDHALDHBGRIK1
Carbimide SCHEMBL7758388 0.78 TDP1 (0.36) TDP1ALDH1A1LMNAOR51E2
SCHEMBL6901765 0.78 TDP1 (0.36) TDP1ALDH1A1LMNAOR51E2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090212035-A1 Glow plug and methods for the production thereof FRAUNHOFER-GESELLSCHAFT ZUR FOERDERUNG DER ANGEWANDETEN FORSCHUNG E.V. (DE) 2009-08-27 US disclosed