SCHEMBL8534878

SCHEMBL8534878

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

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.66
KMT2A Q03164 3/20 0.66
TDP1 Q9NUW8 2/20 0.66
TTR P02766 1/20 0.66
PPOX P50336 1/20 0.66
FFAR1 O14842 4/20 0.46
MRGPRX4 Q96LA9 1/20 0.43
THRB P10828 1/20 0.40
VDR P11473 1/20 0.40
ALDH1A1 P00352 3/20 0.39
LMNA P02545 2/20 0.39
POLB P06746 2/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
PYGL P06737 1/20 0.39
MAPT P10636 3/20 0.39
PPARD Q03181 2/20 0.39
PPARA Q07869 1/20 0.39
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2C19 P33261 1/20 0.38

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 0.97 MEN1 (0.68) MEN1KMT2ATDP1TTRPPOX
SCHEMBL10536730 0.96 MEN1 (0.67) MEN1KMT2ATDP1TTRPPOX
Acifluorfen SCHEMBL7578255 0.95 TDP1 (0.75) MEN1KMT2ATDP1TTRPPOX
SCHEMBL2262565 0.93 TDP1 (0.76) MEN1KMT2ATDP1TTRPPOX
SCHEMBL9190395 0.93 TDP1 (0.76) MEN1KMT2ATDP1TTRPPOX
SCHEMBL11495633 0.92 TDP1 (0.74) MEN1KMT2ATDP1TTRPPOX
SCHEMBL11495630 0.92 TDP1 (0.74) MEN1KMT2ATDP1TTRPPOX
Fomesafen SCHEMBL6723219 0.92 MEN1 (0.56) MEN1KMT2ATDP1TTRPPOX
Oxyfluorfen SCHEMBL7582082 0.92 MEN1 (0.61) MEN1KMT2ATDP1TTRPPOX
SCHEMBL5933816 0.90 MEN1 (0.74) 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
EP-0574418-B1 ARYL SULPHONYL UREA COMPOUNDS, A METHOD OF PREPARING THEM, AND THEIR USE AS HERBICIDES AND GROWTH REGULATORS HOECHST SCHERING AGREVO GMBH (DE) 1998-11-11 EP disclosed
EP-0574418-A1 ARYL SULPHONYL UREA COMPOUNDS, A METHOD OF PREPARING THEM, AND THEIR USE AS HERBICIDES AND GROWTH REGULATORS Hoechst Schering AgrEvo GmbH (DE) 1993-12-22 EP disclosed
EP-0548264-A1 HERBICIDAL SUBSTITUTED BICYCLIC TRIAZOLES. DU PONT (US) 1993-06-30 EP disclosed
WO-1992020684-A1 HERBICIDAL OXATRICYCLIC ETHERS E.I. DU PONT DE NEMOURS AND COMPANY (US) 1992-11-26 WO disclosed
WO-1992013845-A1 ARYL SULPHONYL UREA COMPOUNDS, A METHOD OF PREPARING THEM, AND THEIR USE AS HERBICIDES AND GROWTH REGULATORS HOECHST AKTIENGESELLSCHAFT (DE) 1992-08-20 WO disclosed
WO-1992013861-A1 HERBICIDAL BICYCLIC ETHERS E.I. DU PONT DE NEMOURS AND COMPANY (US) 1992-08-20 WO disclosed
WO-1992009587-A1 HERBICIDAL OXAZINE ETHERS E.I. DU PONT DE NEMOURS AND COMPANY (US) 1992-06-11 WO disclosed
WO-1992009578-A1 SUBSTITUTED FUSED HETEROCYCLIC HERBICIDES E.I. DU PONT DE NEMOURS AND COMPANY (US) 1992-06-11 WO disclosed
WO-1992004827-A1 HERBICIDAL SUBSTITUTED BICYCLIC TRIAZOLES E.I. DU PONT DE NEMOURS AND COMPANY (US) 1992-04-02 WO disclosed