SCHEMBL10536730

SCHEMBL10536730

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

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.67
KMT2A Q03164 4/20 0.67
TDP1 Q9NUW8 2/20 0.67
TTR P02766 1/20 0.67
PPOX P50336 1/20 0.67
MRGPRX4 Q96LA9 1/20 0.44
FFAR1 O14842 2/20 0.43
THRB P10828 1/20 0.42
VDR P11473 1/20 0.42
LMNA P02545 5/20 0.41
ALDH1A1 P00352 3/20 0.41
SMN1; SMN2 Q16637 3/20 0.41
POLB P06746 2/20 0.41
MAPT P10636 4/20 0.40
PPARD Q03181 1/20 0.40
CYP1A2 P05177 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2C19 P33261 1/20 0.40
CCR6 P51684 1/20 0.40
NPSR1 Q6W5P4 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
SCHEMBL38860 0.99 MEN1 (0.68) MEN1KMT2ATDP1TTRPPOX
SCHEMBL8534878 0.96 MEN1 (0.66) MEN1KMT2ATDP1TTRPPOX
Acifluorfen SCHEMBL7578255 0.96 TDP1 (0.75) MEN1KMT2ATDP1TTRPPOX
Oxyfluorfen SCHEMBL7582082 0.94 MEN1 (0.61) MEN1KMT2ATDP1TTRPPOX
SCHEMBL30088466 0.93 MEN1 (0.74) MEN1KMT2ATDP1TTRPPOX
SCHEMBL5933816 0.93 MEN1 (0.74) MEN1KMT2ATDP1TTRPPOX
Bifenox SCHEMBL7575733 0.93 TDP1 (0.67) MEN1KMT2ATDP1TTRPPOX
Fluorodifen SCHEMBL19460483 0.93 MEN1 (0.60) MEN1KMT2ATDP1TTRPPOX
SCHEMBL11022978 0.92 MEN1 (0.66) MEN1KMT2ATDP1TTRPPOX
Lactofen SCHEMBL7577659 0.92 MEN1 (0.59) 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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4851034-A Control of certain grasses with certain 5-(2-chloro-4-(trifluoromethyl)phenoxy-2-nitrobenzoic acid esters and amides RHONE-POULENC AGROCHIMIE (FR) 1989-07-25 US disclosed
EP-0040898-B1 2-NITRO-5-(SUBSTITUTED-PHENOXY) BENZOATE ESTERS OF ALPHA-HYDROXYALKANOATES AND METHODS OF USING SAME AS HERBICIDES RHONE-POULENC AGROCHIMIE (FR) 1985-01-16 EP disclosed
US-4460402-A Synergistic herbicide compositions of phenoxybenzoic acids and cyclohexanediones RHONE-POULENC AGROCHIMIE (FR) 1984-07-17 US disclosed
EP-0040898-A1 2-Nitro-5-(substituted-phenoxy) benzoate esters of alpha-hydroxyalkanoates and methods of using same as herbicides RHONE-POULENC AGROCHIMIE (FR) 1981-12-02 EP disclosed