SCHEMBL9242598

SCHEMBL9242598

C=CC(=O)OOC(=O)OCC

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.50
SOAT1 P35610 1/20 0.46
TSHR P16473 8/20 0.45
HPGD P15428 1/20 0.45
TP53 P04637 3/20 0.40
HIF1A Q16665 3/20 0.40
HSD17B10 Q99714 2/20 0.40
CYP3A4 P08684 2/20 0.40
HCAR2 Q8TDS4 1/20 0.39
THRB P10828 2/20 0.38
NPSR1 Q6W5P4 1/20 0.38
LMNA P02545 1/20 0.37
MAPK1 P28482 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
ALOX15 P16050 1/20 0.36
MGAM O43451 1/20 0.36
GAA P10253 1/20 0.36
SI P14410 1/20 0.36
MGAM2 Q2M2H8 1/20 0.36
KDM4E B2RXH2 1/20 0.33

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
SCHEMBL9847912 0.88 ALDH1A1 (0.46) ALDH1A1SOAT1TSHRHPGDTP53
SCHEMBL30542187 0.81 HCAR2 (0.57) ALDH1A1TSHRHPGDTP53HIF1A
SCHEMBL374891 0.81 ALDH1A1 (0.75) ALDH1A1SOAT1TSHRHSD17B10HCAR2
SCHEMBL7076343 0.80 SOAT1 (0.61) ALDH1A1SOAT1TSHRHPGDTP53
SCHEMBL10498325 0.79 ALDH1A1 (0.38) ALDH1A1SOAT1TSHRHPGDTP53
Acrylic Acid Ethyl Ester SCHEMBL8159679 0.79 TSHR (0.60) ALDH1A1SOAT1TSHRHPGDTP53
Acrylic Acid Ethyl Ester SCHEMBL9557413 0.79 TSHR (0.60) ALDH1A1SOAT1TSHRHPGDTP53
Acrylic Acid Ethyl Ester SCHEMBL3180 0.79
SCHEMBL9499971 0.78 TSHR (0.40) ALDH1A1TSHRHPGDTP53HIF1A
SCHEMBL11470775 0.78 SOAT1 (0.58) ALDH1A1SOAT1TSHRHPGDTP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0579434-B1 Dialkyl peroxide, cross-linking composition containing the same, method for cross-linking, and electric power cable NOF CORP (JP) 1995-10-18 EP claimed
EP-0579434-A1 Dialkyl peroxide, cross-linking composition containing the same, method for cross-linking, and electric power cable NOF CORPORATION (JP) 1994-01-19 EP claimed