SCHEMBL28706308

SCHEMBL28706308

O=C(OC(OC(=O)c1ccccc1)(OC(=O)c1ccccc1)OC(=O)c1ccccc1)c1ccccc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.61
F2 P00734 1/20 0.61
TSHR P16473 5/20 0.56
MAPK1 P28482 1/20 0.54
HIF1A Q16665 1/20 0.54
TDP1 Q9NUW8 5/20 0.52
ALDH1A1 P00352 4/20 0.52
HSD17B10 Q99714 2/20 0.52
TP53 P04637 1/20 0.50
CYP2C19 P33261 2/20 0.49
CYP1A2 P05177 1/20 0.49
CYP2D6 P10635 1/20 0.49
MAPT P10636 4/20 0.48
KMT2A Q03164 3/20 0.48
POLB P06746 2/20 0.48
SLC6A2 P23975 1/20 0.48
SLC6A3 Q01959 1/20 0.48
CES1 P23141 3/20 0.48
CES2 O00748 2/20 0.48
DAO P14920 1/20 0.48

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
SCHEMBL783600 0.87 TSHR (0.59) LMNAF2TSHRMAPK1HIF1A
SCHEMBL784690 0.85 LMNA (0.50) LMNAF2TSHRMAPK1HIF1A
SCHEMBL28898522 0.83 LMNA (0.58) LMNAF2TSHRMAPK1HIF1A
SCHEMBL784759 0.82 CYP2D6 (0.51) LMNAF2TSHRMAPK1HIF1A
SCHEMBL219676 0.81 LMNA (0.56) LMNAF2TSHRMAPK1HIF1A
SCHEMBL1786261 0.81 TSHR (0.59) LMNAF2TSHRMAPK1HIF1A
SCHEMBL260960 0.81 TDP1 (0.64) LMNAF2TSHRMAPK1HIF1A
SCHEMBL6868882 0.81 LMNA (0.56) LMNAF2TSHRMAPK1HIF1A
SCHEMBL1953844 0.81 TSHR (0.59) LMNAF2TSHRMAPK1HIF1A
Hydrogen Peroxide SCHEMBL28425777 0.81 TDP1 (0.64) LMNAF2TSHRMAPK1HIF1A

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
CN-110511357-B Solid-phase microextraction adsorbent for carbamate pesticide detection and preparation method and application thereof 山东省分析测试中心 2022-03-15 CN disclosed