SCHEMBL8986433

SCHEMBL8986433

Nc1c(Cl)c(F)nc(C(=O)O)c1Cl

nearest known ligand 0.66

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.66
MAPT P10636 2/20 0.33
ATM Q13315 2/20 0.33
L3MBTL1 Q9Y468 2/20 0.33
LMNA P02545 1/20 0.33
GAA P10253 1/20 0.33
HCAR2 Q8TDS4 1/20 0.33
KEAP1 Q14145 1/20 0.32
NFE2L2 Q16236 1/20 0.32
KMO O15229 1/20 0.31

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
SCHEMBL11044076 0.85 TDP1 (0.47) TDP1MAPTATML3MBTL1LMNA
SCHEMBL29131534 0.81 TDP1 (0.43) TDP1MAPTATML3MBTL1LMNA
Potassium Ion SCHEMBL8986486 0.81 TDP1 (0.43) TDP1MAPTATML3MBTL1LMNA
Picloram SCHEMBL13299 0.79 TDP1 (1.00) TDP1MAPTATML3MBTL1LMNA
Picloram SCHEMBL8467014 0.79 TDP1 (1.00) TDP1MAPTATML3MBTL1LMNA
Picloram SCHEMBL29388079 0.79 TDP1 (1.00) TDP1MAPTATML3MBTL1LMNA
SCHEMBL29928384 0.78 TDP1 (0.69) TDP1MAPTATML3MBTL1LMNA
SCHEMBL1424187 0.78 TDP1 (0.69) TDP1MAPTATML3MBTL1LMNA
Picloram SCHEMBL5086801 0.78 TDP1 (0.96) TDP1MAPTATML3MBTL1LMNA
Picloram SCHEMBL15437675 0.78 TDP1 (0.96) TDP1MAPTATML3MBTL1LMNA

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
EP-0441457-B1 Preparation of higher alkyl esters of carboxylic acids DOWELANCO (US) 1996-06-05 EP disclosed
US-5214150-A Preparation of higher alkylesters of carboxylic acids DOWELANCO (US) 1993-05-25 US disclosed
EP-0441457-A2 Preparation of higher alkyl esters of carboxylic acids DOWELANCO (US) 1991-08-14 EP disclosed