SCHEMBL7779000

SCHEMBL7779000

C=C(CCCNCO)C(=O)O

nearest known ligand 0.41

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 1/20 0.34
HSD17B10 Q99714 1/20 0.34
TBXAS1 P24557 2/20 0.34
TET2 Q6N021 4/20 0.33
TET3 O43151 1/20 0.31
TET1 Q8NFU7 1/20 0.31
GRIK1 P39086 1/20 0.30
GRIK2 Q13002 1/20 0.30
GRM1 Q13255 1/20 0.30
GRM2 Q14416 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
SCHEMBL629549 0.86 ALOX15 (0.37) ALOX15HSD17B10TET2TET3TET1
SCHEMBL819365 0.85 CAMK2A (0.36) ALOX15HSD17B10TBXAS1TET2TET3
SCHEMBL5086079 0.85 KDM4E (0.37) ALOX15HSD17B10TBXAS1TET2
SCHEMBL3140244 0.83 LMNA (0.42) ALOX15HSD17B10
SCHEMBL2495440 0.81 CA12 (0.44) ALOX15HSD17B10
SCHEMBL303227 0.81 CYP2C19 (0.42) ALOX15HSD17B10TBXAS1TET2
SCHEMBL636292 0.79 PAOX (0.47) ALOX15TBXAS1TET2
SCHEMBL246135 0.79 ALOX15 (0.45) ALOX15
SCHEMBL1489810 0.78 KDM4E (0.40) ALOX15HSD17B10
SCHEMBL4276362 0.78 ALDH1A1 (0.50) ALOX15

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
EP-1136591-A1 HYDROPHILIZING AGENT FOR METALLIC MATERIAL, HYDROPHILIZING FLUID, METHOD OF HYDROPHILIZING, METALLIC MATERIAL, AND HEAT EXCHANGER NIHON PARKERIZING CO., LTD. (JP) 2001-09-26 EP disclosed