Ether

Ether

SCHEMBL11042007

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

nearest known ligand 0.48

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Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 3/20 0.48
▸ KMT2A Q03164 3/20 0.48
▸ TTR P02766 1/20 0.48
▸ PPOX P50336 1/20 0.48
▸ TDP1 Q9NUW8 1/20 0.48
▸ EIF4E P06730 2/20 0.43
▸ HPD P32754 2/20 0.40
▸ PPARD Q03181 1/20 0.38
▸ PPARA Q07869 1/20 0.38
▸ MAPT P10636 3/20 0.38
▸ LMNA P02545 2/20 0.38
▸ ALDH1A1 P00352 1/20 0.38
▸ CYP1A2 P05177 1/20 0.38
▸ CYP3A4 P08684 1/20 0.38
▸ CYP2C19 P33261 1/20 0.38
▸ POLB P06746 1/20 0.38
▸ CCR6 P51684 1/20 0.38
▸ NPSR1 Q6W5P4 1/20 0.38
▸ GPR55 Q9Y2T6 1/20 0.38
▸ FLT1 P17948 1/20 0.37

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
Water SCHEMBL11042053 0.90 TDP1 (0.51) MEN1KMT2ATTRPPOXTDP1
Ether SCHEMBL11350608 0.84 MEN1 (0.42) MEN1KMT2ATTRPPOXTDP1
Ether SCHEMBL11350311 0.84 SMN1; SMN2 (0.42) MEN1KMT2ATTRPPOXTDP1
Ether SCHEMBL9343517 0.83 MEN1 (0.41) MEN1KMT2ATTRPPOXTDP1
SCHEMBL27481992 0.82 TDP1 (0.64) MEN1KMT2ATTRPPOXTDP1
SCHEMBL28323202 0.82 TDP1 (0.51) MEN1KMT2ATTRPPOXTDP1
SCHEMBL9565880 0.80 MAPT (0.46) MEN1KMT2ATTRPPOXTDP1
Ether SCHEMBL11322577 0.79 MEN1 (0.39) MEN1KMT2ATTRPPOXTDP1
SCHEMBL28713810 0.78 MEN1 (0.41) MEN1KMT2ATTRPPOXTDP1
Ether SCHEMBL11428942 0.78 PPARD (0.38) 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
EP-0028277-B1 SUBSTITUTED DIPHENYL ETHERS, HERBICIDAL COMPOSITIONS CONTAINING THEM AND METHOD OF COMBATING WEEDS ROHM AND HAAS COMPANY (US) 1985-01-23 — — EP disclosed
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