SCHEMBL8646191

SCHEMBL8646191

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

nearest known ligand 0.37

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.36
KLK7 P49862 4/20 0.35
PTGS2 P35354 2/20 0.35
PTGS1 P23219 2/20 0.35
LMNA P02545 2/20 0.34
MAPK1 P28482 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
KMT2A Q03164 1/20 0.33
NR4A1 P22736 1/20 0.33
HTT P42858 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
ALDH1A1 P00352 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33

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 0.98 PTGS2 (0.37) TSHRKLK7PTGS2PTGS1LMNA
SCHEMBL8646856 0.94 PTGS1 (0.41) TSHRKLK7PTGS2PTGS1LMNA
SCHEMBL8645157 0.88 TSHR (0.36) TSHRKLK7LMNAMAPK1USP2
SCHEMBL8644037 0.84 TSHR (0.40) TSHRKLK7LMNAMAPK1USP2
SCHEMBL8646827 0.84 KLK7 (0.38) TSHRKLK7LMNACYP2C9KMT2A
SCHEMBL8642449 0.83 TSHR (0.39) TSHRKLK7LMNAMAPK1USP2
SCHEMBL10952749 0.81 ALDH1A1 (0.50) TSHRKLK7LMNAMAPK1USP2
SCHEMBL2906104 0.78 TSHR (0.49) TSHRKLK7PTGS2PTGS1LMNA
SCHEMBL28770289 0.76 TSHR (0.45) TSHRKLK7LMNAMAPK1USP2
SCHEMBL10615027 0.74 CLCN2 (0.39) TSHRKLK7PTGS2PTGS1LMNA

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