Ether

Ether

SCHEMBL9343517

CCOC(=O)CC(C)OC(=O)c1cc(-c2ccc(C(F)(F)F)cc2Cl)ccc1[N+](=O)[O-].CCOCC

nearest known ligand 0.41

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 5/20 0.41
▸ KMT2A Q03164 5/20 0.41
▸ TTR P02766 1/20 0.41
▸ PPOX P50336 1/20 0.41
▸ TDP1 Q9NUW8 1/20 0.41
▸ EIF4E P06730 1/20 0.38
▸ MAPT P10636 4/20 0.36
▸ SMN1; SMN2 Q16637 1/20 0.36
▸ HPD P32754 1/20 0.36
▸ MRGPRX4 Q96LA9 1/20 0.35
▸ THRB P10828 1/20 0.35
▸ VDR P11473 1/20 0.35
▸ PPARD Q03181 2/20 0.35
▸ PPARA Q07869 1/20 0.35
▸ PTGDR2 Q9Y5Y4 1/20 0.35
▸ PKM P14618 1/20 0.34
▸ ALDH1A1 P00352 1/20 0.34
▸ CYP1A2 P05177 1/20 0.34
▸ CYP3A4 P08684 1/20 0.34
▸ CYP2C19 P33261 1/20 0.34

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 SCHEMBL11350311 0.87 SMN1; SMN2 (0.42) MEN1KMT2ATTRPPOXTDP1
Ether SCHEMBL11350608 0.86 MEN1 (0.42) MEN1KMT2ATTRPPOXTDP1
Ether SCHEMBL11042007 0.83 MEN1 (0.48) MEN1KMT2ATTRPPOXTDP1
SCHEMBL28713810 0.82 MEN1 (0.41) MEN1KMT2ATTRPPOXTDP1
SCHEMBL11165206 0.82 MEN1 (0.64) MEN1KMT2ATTRPPOXTDP1
Water SCHEMBL11042053 0.76 TDP1 (0.51) MEN1KMT2ATTRPPOXTDP1
Ether SCHEMBL9347572 0.75 TDP1 (0.42) MEN1KMT2ATDP1MAPTSMN1; SMN2
Ether SCHEMBL11428942 0.75 PPARD (0.38) MEN1KMT2ATTRPPOXTDP1
Ether SCHEMBL11322577 0.75 MEN1 (0.39) MEN1KMT2ATTRPPOXTDP1
SCHEMBL27481992 0.75 TDP1 (0.64) MEN1KMT2ATTRPPOXTDP1

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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