SCHEMBL14615232

SCHEMBL14615232

CN(C)CCCNCCC(F)(F)CC(F)(F)CC(F)(C(F)(F)F)C(F)(F)F

nearest known ligand 0.43

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.43
CYP2C9 P11712 1/20 0.37
CYP2C19 P33261 1/20 0.37
PAOX Q6QHF9 1/20 0.37
DPP7 Q9UHL4 2/20 0.33
KDM4E B2RXH2 2/20 0.33
MEN1 O00255 1/20 0.32
ALDH1A1 P00352 1/20 0.32
HTT P42858 1/20 0.32
KMT2A Q03164 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
SCHEMBL13860416 0.98 TDP1 (0.44) TDP1CYP2C9CYP2C19PAOXDPP7
SCHEMBL14615303 0.76 TDP1 (0.37) TDP1CYP2C9CYP2C19PAOX
SCHEMBL13859674 0.74 CA12 (0.35) ALDH1A1KMT2A
SCHEMBL13860444 0.72
SCHEMBL6141860 0.71 TDP1 (0.68) TDP1CYP2C9CYP2C19PAOXDPP7
SCHEMBL15859 0.71 TDP1 (0.75) TDP1CYP2C9CYP2C19PAOXDPP7
SCHEMBL5131831 0.69 TDP1 (0.71) TDP1CYP2C9CYP2C19PAOXDPP7
Ammonia Solution, Strong SCHEMBL7104676 0.69 TDP1 (0.71) TDP1CYP2C9CYP2C19PAOXDPP7
SCHEMBL26967080 0.69 TDP1 (0.71) TDP1CYP2C9CYP2C19PAOXDPP7
SCHEMBL5129514 0.69 TDP1 (0.71) TDP1CYP2C9CYP2C19PAOXDPP7

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2007016359-A2 PRODUCTION PROCESSES AND SYSTEMS, COMPOSITIONS, SURFACTANTS, MONOMER UNITS, METAL COMPLEXES, PHOSPHATE ESTERS, GLYCOLS, AQUEOUS FILM FORMING FOAMS, AND FOAM STABILIZERS GREAT LAKES CHEMICAL CORPORATION (US) 2007-02-08 WO disclosed