SCHEMBL20569262

SCHEMBL20569262

N[C@H](COC(=O)C(F)(F)F)C(=O)Nc1cccc(OCc2ccccc2)c1

nearest known ligand 0.57

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 7/20 0.57
PDK1 Q15118 1/20 0.55
PDK2 Q15119 1/20 0.55
PDK3 Q15120 1/20 0.55
PDK4 Q16654 1/20 0.55
NR1H4 Q96RI1 1/20 0.47
SIRT2 Q8IXJ6 1/20 0.47

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
SCHEMBL20568991 0.87 HDAC3 (0.52)
SCHEMBL20570273 0.86 HTT (0.47) LTA4HNR1H4
Trifluoroacetic Acid SCHEMBL20569263 0.85 PDK1 (0.57) LTA4HPDK1PDK2PDK3PDK4
SCHEMBL20570012 0.82 S1PR1 (0.53) NR1H4
SCHEMBL20572066 0.77 FADS1 (0.44)
SCHEMBL20570050 0.76 F10 (0.58) LTA4HPDK1PDK2PDK3PDK4
SCHEMBL20570047 0.76 F10 (0.58) LTA4HPDK1PDK2PDK3PDK4
SCHEMBL1373113 0.76 MITF (0.51) LTA4H
SCHEMBL1373110 0.76 MITF (0.51) LTA4H
SCHEMBL2367781 0.74 IDO1 (0.44) LTA4H

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-2018216823-A1 ALPHA-AMINO AMIDE DERIVATIVES TAISHO PHARMACEUTICAL CO., LTD. (JP) 2018-11-29 WO disclosed