Ether

Ether

SCHEMBL9347572

CCOCC.COC(=O)CC(C)OC(=O)c1cc(-c2c(Cl)cc(Cl)cc2Cl)ccc1[N+](=O)[O-]

nearest known ligand 0.42

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TDP1 Q9NUW8 1/20 0.42
▸ SMN1; SMN2 Q16637 4/20 0.40
▸ MAPT P10636 5/20 0.39
▸ PLA2G1B P04054 1/20 0.39
▸ ATG4B Q9Y4P1 1/20 0.39
▸ ALDH1A1 P00352 5/20 0.37
▸ HPGD P15428 3/20 0.36
▸ KMT2A Q03164 2/20 0.36
▸ MEN1 O00255 1/20 0.36
▸ PSMD14 O00487 1/20 0.36
▸ BLM P54132 1/20 0.36
▸ GAA P10253 1/20 0.36
▸ L3MBTL1 Q9Y468 2/20 0.35
▸ MAPK1 P28482 1/20 0.35
▸ SIRT6 Q8N6T7 1/20 0.34
▸ BRAF P15056 1/20 0.34
▸ GALR2 O43603 1/20 0.33
▸ MITF O75030 1/20 0.33
▸ LMNA P02545 1/20 0.33
▸ POLB P06746 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
Ether SCHEMBL9342563 0.80 TDP1 (0.43) TDP1SMN1; SMN2MAPTPLA2G1BATG4B
Ether SCHEMBL9343517 0.75 MEN1 (0.41) TDP1SMN1; SMN2MAPTALDH1A1KMT2A
Ether SCHEMBL9342827 0.74 TDP1 (0.40) TDP1SMN1; SMN2MAPTPLA2G1BATG4B
Ether SCHEMBL11171585 0.70 TSHR (0.41) SMN1; SMN2MAPTALDH1A1HPGDKMT2A
Ether SCHEMBL11164208 0.70 TSHR (0.41) MAPTALDH1A1HPGDKMT2AMEN1
Ether SCHEMBL9343384 0.70 TDP1 (0.46) TDP1SMN1; SMN2MAPTPLA2G1BATG4B
SCHEMBL9342797 0.69 TDP1 (0.70) TDP1SMN1; SMN2MAPTPLA2G1BATG4B
SCHEMBL6552076 0.68 TDP1 (0.64) TDP1SMN1; SMN2MAPTPLA2G1BATG4B
Ether SCHEMBL11350608 0.67 MEN1 (0.42) TDP1SMN1; SMN2MAPTALDH1A1HPGD
SCHEMBL25285852 0.67 KDM4E (0.53) TDP1SMN1; SMN2MAPTALDH1A1KMT2A

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
US-5304531-A Preemergent, postemergent, controls weed growth 2-chloro-4-trifluoromethyl-3' (1-(carboethoxy) ethoxycarbonyl)-4-nitrodiphenyl ether BASF CORPORATION 1994-04-19 — — US disclosed
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