SCHEMBL10789188

SCHEMBL10789188

COC(=O)c1cc(Oc2ccc(Cl)cc2C(F)(F)F)ccc1[N+](=O)[O-]

nearest known ligand 0.74

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ TDP1 Q9NUW8 2/20 0.74
▸ MEN1 O00255 1/20 0.54
▸ TTR P02766 1/20 0.54
▸ PPOX P50336 1/20 0.54
▸ KMT2A Q03164 1/20 0.54
▸ EPAS1 Q99814 2/20 0.45
▸ MRGPRX4 Q96LA9 2/20 0.44
▸ ALDH1A1 P00352 1/20 0.44
▸ HPGD P15428 1/20 0.44
▸ NPSR1 Q6W5P4 1/20 0.44
▸ PDE7A Q13946 1/20 0.43
▸ MAPT P10636 1/20 0.41
▸ LMNA P02545 1/20 0.41
▸ SMN1; SMN2 Q16637 1/20 0.41
▸ SIRT6 Q8N6T7 1/20 0.41
▸ ESRRA P11474 1/20 0.40
▸ TBXA2R P21731 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
SCHEMBL13107176 0.87 TDP1 (0.59) TDP1MEN1TTRPPOXKMT2A
SCHEMBL10789757 0.87 TDP1 (0.84) TDP1MEN1TTRPPOXKMT2A
SCHEMBL11922554 0.86 TDP1 (0.59) TDP1MEN1TTRPPOXKMT2A
Bifenox SCHEMBL8541647 0.85 TDP1 (1.00) TDP1MEN1TTRPPOXKMT2A
Bifenox SCHEMBL30862569 0.85 TDP1 (1.00) TDP1MEN1TTRPPOXKMT2A
Bifenox SCHEMBL38816 0.85 TDP1 (1.00) TDP1MEN1TTRPPOXKMT2A
SCHEMBL10688685 0.85 TDP1 (0.57) TDP1MEN1TTRPPOXKMT2A
SCHEMBL10775978 0.85 TDP1 (0.55) TDP1MEN1TTRPPOXKMT2A
SCHEMBL11372278 0.85 TDP1 (0.54) TDP1MEN1TTRPPOXKMT2A
SCHEMBL11276412 0.85 TDP1 (0.56) TDP1MEN1TTRPPOXKMT2A

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 15 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-3979437-A HERBICIDES MOBIL OIL CORPORATION (US) 1976-09-07 — — US claimed
US-4681622-A 2-NITRO-5-(SUBSTITUTED-PHENOXY) BENZOIC ACIDS RHONE-POULENC AGROCHIMIE (FR) 1987-07-21 — — US disclosed
US-RE32243-E Esters of substituted phenoxybenzoic acids, compositions of the same and herbicidal use thereof RHONE-POULENC AGROCHIMIE (FR) 1986-09-09 — — US disclosed
US-4606758-A Substituted phenoxybenzoic acids and derivative thereof as herbicides RHONE-POULENC AGROCHIMIE (FR) 1986-08-19 — — 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
EP-0019388-B1 PREPARATION OF TRIFLUOROMETHYL-SUBSTITUTED PHENOLS AND PHENATES AND THE PREPARATION, FROM THESE PHENOLS AND PHENATES, OF NITRO- AND TRIFLUOROMETHYL-SUBSTITUTED DIPHENYL ETHERS ROHM AND HAAS COMPANY (US) 1983-03-23 — — EP disclosed
US-4262152-A REACTION OF TRIFLUOROMETHYLHALOBENZENE WITH A BASE IN A COSOLVENT SYSTEM TO YIELD A TRIFLUOROMETHYL PHENOLATE ROHM AND HAAS COMPANY (US) 1981-04-14 — — US disclosed
US-4259510-A TREATING A TRIFLUOROMETHYLHALOBENZENE WITH A HYDROXIDE FOLLOWED BY ETHERIFICATION WITH A HALONITROBENZENE ROHM AND HAAS COMPANY 1981-03-31 — — US disclosed
EP-0019388-A1 Preparation of trifluoromethyl-substituted phenols and phenates and the preparation, from these phenols and phenates, of nitro- and trifluoromethyl-substituted diphenyl ethers ROHM AND HAAS COMPANY (US) 1980-11-26 — — EP disclosed
US-4164410-A Esters of substituted phenoxybenzoic acids, compositions of the same and herbicidal use thereof MOBIL OIL CORP. (US) 1979-08-14 — — 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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