SCHEMBL9691660

SCHEMBL9691660

CCCC=C(C)C(O)C(=O)OCC

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.39
LMNA P02545 1/20 0.39
HSD17B10 Q99714 1/20 0.39
CYP2D6 P10635 2/20 0.36
CYP2C19 P33261 2/20 0.36
GLO1 Q04760 1/20 0.35
CYP2C9 P11712 1/20 0.34
ALOX15 P16050 1/20 0.33
GRIK1 P39086 1/20 0.33
GRIK2 Q13002 1/20 0.33
MGAM O43451 1/20 0.33
GAA P10253 1/20 0.33
SI P14410 1/20 0.33
MGAM2 Q2M2H8 1/20 0.33
SOAT1 P35610 1/20 0.33
HCAR2 Q8TDS4 1/20 0.32
FAAH O00519 2/20 0.32
NPSR1 Q6W5P4 1/20 0.31
TRPA1 O75762 1/20 0.31
MAPT P10636 1/20 0.31

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
SCHEMBL9691656 1.00 ALDH1A1 (0.39) ALDH1A1LMNAHSD17B10CYP2D6CYP2C19
SCHEMBL9835712 0.86 CA1 (0.36) ALDH1A1LMNAHSD17B10CYP2D6CYP2C19
SCHEMBL9835716 0.86 CA1 (0.36) ALDH1A1LMNAHSD17B10CYP2D6CYP2C19
SCHEMBL1249258 0.75 ALDH1A1 (0.53) ALDH1A1LMNAHSD17B10GLO1ALOX15
SCHEMBL9836706 0.74 ZDHHC7 (0.42) ALDH1A1CYP2D6CYP2C19CYP2C9FAAH
SCHEMBL9836703 0.74 ZDHHC7 (0.42) ALDH1A1CYP2D6CYP2C19CYP2C9FAAH
SCHEMBL903306 0.73 ALDH1A1 (0.50) ALDH1A1LMNAHSD17B10CYP2D6CYP2C19
SCHEMBL14616293 0.71 CYP2D6 (0.51) ALDH1A1LMNAHSD17B10CYP2D6CYP2C19
SCHEMBL1759140 0.71 CYP2D6 (0.51) ALDH1A1LMNAHSD17B10CYP2D6CYP2C19
SCHEMBL7535763 0.71 CYP2D6 (0.51) ALDH1A1LMNAHSD17B10CYP2D6CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0153692-B1 METHOD FOR ISOMERIZATION A GLYCIDATE DERIVATIVE SAGAMI CHEMICAL RESEARCH CENTER (JP) 1992-07-29 EP disclosed
US-4621150-A METAL PERHALATE OR SULFONATE OR COMPLEX; GLYCIDATE, 2-HYDROXY-3-BUTENOATE, EPOXIDE SAGAMI CHEMICAL RESEARCH CENTER (JP) 1986-11-04 US disclosed
EP-0153692-A2 Method for isomerization a glycidate derivative SAGAMI CHEMICAL RESEARCH CENTER (JP) 1985-09-04 EP disclosed