SCHEMBL9347451

SCHEMBL9347451

COC(=O)C(C)OC(=O)c1cc(Oc2ccc(C(F)(F)F)cc2Cl)ccc1[N+](=O)[O-]

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TDP1 Q9NUW8 3/20 0.68
▸ MEN1 O00255 2/20 0.68
▸ KMT2A Q03164 2/20 0.68
▸ TTR P02766 1/20 0.68
▸ PPOX P50336 1/20 0.68
▸ FFAR1 O14842 3/20 0.44
▸ LMNA P02545 6/20 0.43
▸ MAPT P10636 3/20 0.43
▸ HPGD P15428 3/20 0.43
▸ KDM4E B2RXH2 1/20 0.43
▸ GAA P10253 1/20 0.43
▸ THRB P10828 1/20 0.43
▸ SMN1; SMN2 Q16637 4/20 0.42
▸ NPSR1 Q6W5P4 2/20 0.42
▸ POLB P06746 2/20 0.42
▸ CCR6 P51684 1/20 0.42
▸ GPR55 Q9Y2T6 1/20 0.42
▸ ALDH1A1 P00352 2/20 0.41
▸ PYGL P06737 1/20 0.41
▸ PPARD Q03181 1/20 0.40

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
Lactofen SCHEMBL8536001 0.91 MEN1 (0.66) TDP1MEN1KMT2ATTRPPOX
Lactofen SCHEMBL30359837 0.91 MEN1 (0.66) TDP1MEN1KMT2ATTRPPOX
Lactofen SCHEMBL30606811 0.91 MEN1 (0.66) TDP1MEN1KMT2ATTRPPOX
Lactofen SCHEMBL29462400 0.91 MEN1 (0.66) TDP1MEN1KMT2ATTRPPOX
Lactofen SCHEMBL9796531 0.91 MEN1 (0.66) TDP1MEN1KMT2ATTRPPOX
Lactofen SCHEMBL39523 0.91 MEN1 (0.66) TDP1MEN1KMT2ATTRPPOX
SCHEMBL2233678 0.91 TDP1 (0.73) TDP1MEN1KMT2ATTRPPOX
SCHEMBL9343367 0.90 TDP1 (0.69) TDP1MEN1KMT2ATTRPPOX
SCHEMBL11035747 0.90 TDP1 (0.74) TDP1MEN1KMT2ATTRPPOX
SCHEMBL10500814 0.90 TDP1 (0.74) TDP1MEN1KMT2ATTRPPOX

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 9 patents. 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
US-5214190-A Nitrophenyl ether herbicides JOHNSON WAYNE O (US) 1993-05-25 — — US disclosed
US-5028732-A Herbicidally active amino diphenyl ethers ROHM AND HAAS COMPANY (US) 1991-07-02 — — US disclosed
US-4806682-A Sulfonium salts of diphenyl ethers ROHM AND HAAS COMPANY (US) 1989-02-21 — — US disclosed
US-4693742-A Herbicidal hydroxyamino phosphonic acids and derivatives ROHM AND HASS COMPANY (US) 1987-09-15 — — US disclosed
US-4584014-A PREEMERGENCE HERBICIDES;CORN, WHEAT AND OATS ROHM AND HAAS COMPANY (US) 1986-04-22 — — US disclosed
EP-0020052-B1 NOVEL SUBSTITUTED NITRODIPHENYL ETHERS, HERBICIDAL COMPOSITIONS CONTAINING THEM, PROCESSES FOR THE PREPARATION THEREOF AND THE USE THEREOF FOR COMBATING WEEDS ROHM AND HAAS COMPANY (US) 1983-07-20 — — EP disclosed
EP-0066217-A1 Novel substituted nitrodiphenyl ethers, herbicidal compositions containing them, processes for the preparation thereof and the use thereof for combating weeds ROHM AND HAAS COMPANY (US) 1982-12-08 — — EP disclosed
EP-0020052-A1 Novel substituted nitrodiphenyl ethers, herbicidal compositions containing them, processes for the preparation thereof and the use thereof for combating weeds ROHM AND HAAS COMPANY (US) 1980-12-10 — — EP disclosed
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