SCHEMBL18152012

SCHEMBL18152012

CC(C)OC(=O)CC(=O)OC(C)C.CC(C)OC(=O)CC(=O)OC(C)C.CC(C)OC(=O)CC(=O)OC(C)C.[AlH3]

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.48
TSHR P16473 4/20 0.48
MGAM O43451 1/20 0.39
GAA P10253 1/20 0.39
SI P14410 1/20 0.39
MGAM2 Q2M2H8 1/20 0.39
MAPT P10636 2/20 0.39
CYP2D6 P10635 1/20 0.38
ALDH1A1 P00352 3/20 0.37
HCAR2 Q8TDS4 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.36
HTT P42858 1/20 0.36
PPARG P37231 1/20 0.36
NCOA2 Q15596 1/20 0.36
NCOA1 Q15788 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
RXFP1 Q9HBX9 1/20 0.36
NCOA3 Q9Y6Q9 1/20 0.36
HSD17B10 Q99714 2/20 0.35
KDM4E B2RXH2 1/20 0.35

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
SCHEMBL229792 0.97 TSHR (0.50) LMNATSHRMGAMGAASI
SCHEMBL28315849 0.94 LMNA (0.48) LMNATSHRMGAMGAASI
SCHEMBL28875912 0.94 LMNA (0.48) LMNATSHRMGAMGAASI
SCHEMBL28727541 0.94 LMNA (0.48) LMNATSHRMGAMGAASI
Butane SCHEMBL6048652 0.89 LMNA (0.56) LMNATSHRMGAMGAASI
Alcohol SCHEMBL28450884 0.89 LMNA (0.50) LMNATSHRMGAMGAASI
SCHEMBL1983440 0.89 MGAM (0.48) LMNATSHRMGAMGAASI
SCHEMBL20477581 0.87 MGAM (0.52) LMNATSHRMGAMGAASI
SCHEMBL1012855 0.86 LMNA (0.46) LMNATSHRGAAMAPTCYP2D6
SCHEMBL25175789 0.85 LMNA (0.69) LMNATSHRGAAMAPTALDH1A1

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
US-9793511-B2 Filler material for organic electroluminescent element and method of sealing organic electroluminescent element FURUKAWA ELECTRIC CO., LTD. (JP) 2017-10-17 US disclosed
US-20160308164-A1 FILLER MATERIAL FOR ORGANIC ELECTROLUMINESCENT ELEMENT AND METHOD OF SEALING ORGANIC ELECTROLUMINESCENT ELEMENT FURUKAWA ELECTRIC CO., LTD. (JP) 2016-10-20 US disclosed