SCHEMBL8645155

SCHEMBL8645155

O=C(COC(=O)Cc1ccccc1Nc1c(Cl)cccc1Cl)OCCCC[N+](=O)[O-]

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TTR P02766 3/20 0.63
▸ CYP2C9 P11712 2/20 0.63
▸ USP2 O75604 1/20 0.63
▸ LMNA P02545 1/20 0.63
▸ TBXA2R P21731 1/20 0.63
▸ MAPK1 P28482 1/20 0.63
▸ KMT2A Q03164 1/20 0.63
▸ PTGS2 P35354 5/20 0.51
▸ PTGS1 P23219 2/20 0.51
▸ CYP3A4 P08684 1/20 0.51
▸ GAA P10253 1/20 0.51
▸ TSHR P16473 1/20 0.51
▸ AKR1C3 P42330 1/20 0.51
▸ BLM P54132 1/20 0.51
▸ HIF1A Q16665 1/20 0.51
▸ AKR1B10 O60218 1/20 0.50
▸ UGT1A9 O60656 1/20 0.50
▸ TRPA1 O75762 1/20 0.50
▸ ABCB11 O95342 1/20 0.50
▸ MT-CO2 P00403 1/20 0.50

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
SCHEMBL8641582 0.90 TTR (0.63) TTRCYP2C9USP2LMNATBXA2R
SCHEMBL8646189 0.88 TTR (0.63) TTRCYP2C9USP2LMNATBXA2R
SCHEMBL8644035 0.86 TTR (0.69) TTRCYP2C9USP2LMNATBXA2R
SCHEMBL8646851 0.86 TTR (0.65) TTRCYP2C9USP2LMNATBXA2R
SCHEMBL3332430 0.85 TTR (0.61) TTRCYP2C9USP2LMNATBXA2R
SCHEMBL5605274 0.85 TTR (0.60) TTRCYP2C9USP2LMNATBXA2R
SCHEMBL5605812 0.83 TTR (0.61) TTRCYP2C9USP2LMNATBXA2R
SCHEMBL13777334 0.81 TTR (0.67) TTRCYP2C9USP2LMNATBXA2R
SCHEMBL13109322 0.81 TTR (0.67) TTRCYP2C9USP2LMNATBXA2R
SCHEMBL10116869 0.81 TTR (0.70) TTRCYP2C9USP2LMNATBXA2R

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-5844696-A Nitric esters from derivatives of 2-(2,6-dihalophenylamino) phenylacetoxyacetic acid and their preparation process PRODES, S.A. (ES) 1998-12-01 — — US disclosed
EP-0738706-B1 Nitric esters of 2-(2,6-dihalophenylamino) phenylacetoxyacetic acid derivatives and their preparation process PRODES SA (ES) 1998-10-07 — — EP disclosed
EP-0738706-A1 Nitric esters of 2-(2,6-dihalophenylamino) phenylacetoxyacetic acid derivatives and their preparation process PRODES, S.A. (ES) 1996-10-23 — — EP disclosed
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