SCHEMBL10536733

SCHEMBL10536733

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

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 3/20 0.62
▸ KMT2A Q03164 3/20 0.62
▸ TDP1 Q9NUW8 2/20 0.62
▸ TTR P02766 1/20 0.62
▸ PPOX P50336 1/20 0.62
▸ FFAR1 O14842 2/20 0.43
▸ MRGPRX4 Q96LA9 2/20 0.42
▸ ALDH1A1 P00352 3/20 0.41
▸ CYP1A2 P05177 1/20 0.41
▸ CYP3A4 P08684 1/20 0.41
▸ CYP2C19 P33261 1/20 0.41
▸ LMNA P02545 4/20 0.41
▸ SMN1; SMN2 Q16637 3/20 0.41
▸ POLB P06746 2/20 0.41
▸ PPARD Q03181 2/20 0.40
▸ MAPT P10636 2/20 0.39
▸ NPSR1 Q6W5P4 2/20 0.39
▸ CCR6 P51684 1/20 0.39
▸ GPR55 Q9Y2T6 1/20 0.39
▸ PYGL P06737 1/20 0.39

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
SCHEMBL10830722 0.97 MEN1 (0.67) MEN1KMT2ATDP1TTRPPOX
SCHEMBL10992818 0.92 MEN1 (0.64) MEN1KMT2ATDP1TTRPPOX
SCHEMBL29373732 0.91 MEN1 (0.61) MEN1KMT2ATDP1TTRPPOX
SCHEMBL143920 0.91 MEN1 (0.61) MEN1KMT2ATDP1TTRPPOX
SCHEMBL30185879 0.91 MEN1 (0.61) MEN1KMT2ATDP1TTRPPOX
Lactofen SCHEMBL8536001 0.89 MEN1 (0.66) MEN1KMT2ATDP1TTRPPOX
Lactofen SCHEMBL30359837 0.89 MEN1 (0.66) MEN1KMT2ATDP1TTRPPOX
Lactofen SCHEMBL30606811 0.89 MEN1 (0.66) MEN1KMT2ATDP1TTRPPOX
Lactofen SCHEMBL29462400 0.89 MEN1 (0.66) MEN1KMT2ATDP1TTRPPOX
Lactofen SCHEMBL9796531 0.89 MEN1 (0.66) 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 3 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
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
Send feedback