SCHEMBL8645157

SCHEMBL8645157

O=C(Cc1ccccc1)OC(Nc1c(Cl)cccc1Cl)C(=O)OCCCC[N+](=O)[O-]

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.36
LMNA P02545 3/20 0.34
KLK7 P49862 4/20 0.33
MAPK1 P28482 2/20 0.33
KMT2A Q03164 2/20 0.33
HTT P42858 2/20 0.33
USP2 O75604 1/20 0.33
TTR P02766 1/20 0.33
CYP2C9 P11712 1/20 0.33
TBXA2R P21731 1/20 0.33
NR4A1 P22736 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
ALDH1A1 P00352 3/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
P2RX7 Q99572 1/20 0.32
PAM P19021 1/20 0.32
MEN1 O00255 1/20 0.32
MAPT P10636 1/20 0.32
PTPN7 P35236 1/20 0.32
OPRM1 P35372 1/20 0.32

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
SCHEMBL8641583 0.90 PTGS2 (0.37) TSHRLMNAKLK7MAPK1KMT2A
SCHEMBL8646191 0.88 TSHR (0.36) TSHRLMNAKLK7MAPK1KMT2A
SCHEMBL8644037 0.86 TSHR (0.40) TSHRLMNAKLK7MAPK1KMT2A
SCHEMBL8646856 0.86 PTGS1 (0.41) TSHRLMNAKLK7MAPK1KMT2A
SCHEMBL8642449 0.85 TSHR (0.39) TSHRLMNAKLK7MAPK1KMT2A
SCHEMBL10952749 0.81 ALDH1A1 (0.50) TSHRLMNAKLK7MAPK1KMT2A
SCHEMBL2906104 0.78 TSHR (0.49) TSHRLMNAKLK7MAPK1KMT2A
SCHEMBL8646827 0.76 KLK7 (0.38) TSHRLMNAKLK7KMT2AHTT
SCHEMBL28770289 0.76 TSHR (0.45) TSHRLMNAKLK7MAPK1KMT2A
SCHEMBL10615027 0.74 CLCN2 (0.39) TSHRLMNAKLK7MAPK1KMT2A

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