SCHEMBL10831780

SCHEMBL10831780

CCOC(=O)c1cc(Oc2ccc(C(F)(F)F)cc2[N+](=O)[O-])ccc1[N+](=O)[O-]

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 3/20 0.60
▸ KMT2A Q03164 3/20 0.60
▸ TDP1 Q9NUW8 3/20 0.60
▸ TTR P02766 1/20 0.60
▸ PPOX P50336 1/20 0.60
▸ LMNA P02545 6/20 0.52
▸ SMN1; SMN2 Q16637 4/20 0.52
▸ ALDH1A1 P00352 4/20 0.52
▸ POLB P06746 2/20 0.52
▸ MAPT P10636 5/20 0.51
▸ HPGD P15428 3/20 0.50
▸ CYP1A2 P05177 1/20 0.47
▸ CYP3A4 P08684 1/20 0.47
▸ CYP2C19 P33261 1/20 0.47
▸ NPSR1 Q6W5P4 2/20 0.47
▸ KDM4E B2RXH2 2/20 0.46
▸ CYP2C9 P11712 1/20 0.46
▸ MAPK1 P28482 1/20 0.46
▸ HPD P32754 1/20 0.46
▸ CCR6 P51684 1/20 0.45

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
SCHEMBL30088466 0.91 MEN1 (0.74) MEN1KMT2ATDP1TTRPPOX
SCHEMBL5933816 0.91 MEN1 (0.74) MEN1KMT2ATDP1TTRPPOX
SCHEMBL10789550 0.91 MEN1 (0.57) MEN1KMT2ATDP1TTRPPOX
SCHEMBL10791384 0.88 TDP1 (0.63) MEN1KMT2ATDP1TTRPPOX
SCHEMBL10787333 0.85 TDP1 (0.60) MEN1KMT2ATDP1TTRPPOX
SCHEMBL38860 0.85 MEN1 (0.68) MEN1KMT2ATDP1TTRPPOX
Fluorodifen SCHEMBL19460483 0.84 MEN1 (0.60) MEN1KMT2ATDP1TTRPPOX
SCHEMBL10786867 0.84 TDP1 (0.81) MEN1KMT2ATDP1TTRPPOX
SCHEMBL9342478 0.84 MEN1 (0.56) MEN1KMT2ATDP1TTRPPOX
SCHEMBL10536730 0.84 MEN1 (0.67) MEN1KMT2ATDP1TTRPPOX

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-RE31831-E Substituted phenoxybenzoic acids and esters thereof RHONE-POULENC AGROCHIMIE (FR) 1985-02-12 — — US claimed
US-4606758-A Substituted phenoxybenzoic acids and derivative thereof as herbicides RHONE-POULENC AGROCHIMIE (FR) 1986-08-19 — — US disclosed
US-RE32216-E Salts of substituted phenoxybenzoic acids, compositions of the same and herbicidal use thereof RHONE-POULENC AGROCHIMIE (FR) 1986-07-29 — — US disclosed
US-RE32215-E Substituted phenoxybenzoic acids compositions of the same and herbicidal use thereof RHONE-POULENC AGROCHIMIE (FR) 1986-07-22 — — US disclosed
US-RE31831-E Substituted phenoxybenzoic acids and esters thereof RHONE-POULENC AGROCHIMIE (FR) 1985-02-12 — — US disclosed
US-4164409-A Substituted phenoxybenzoic acids, compositions of the same and herbicidal use thereof MOBIL OIL CORP. (US) 1979-08-14 — — US disclosed
US-4002662-A HERBICIDES MOBIL OIL CORPORATION (US) 1977-01-11 — — US disclosed
US-3979437-A HERBICIDES MOBIL OIL CORPORATION (US) 1976-09-07 — — US disclosed
US-3941830-A HERBICIDE MOBIL OIL CORPORATION (US) 1976-03-02 — — US disclosed
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