SCHEMBL8181589

SCHEMBL8181589

O=[N+]([O-])c1c(F)cccc1Oc1ccc(OC(F)(F)F)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CETP P11597 1/20 0.44
HSPB1 P04792 5/20 0.43
SLC6A4 P31645 2/20 0.42
SLC6A3 Q01959 2/20 0.42
SLC6A2 P23975 1/20 0.42
MAPT P10636 4/20 0.41
EPAS1 Q99814 2/20 0.41
HTT P42858 2/20 0.41
MEN1 O00255 1/20 0.41
TP53 P04637 1/20 0.41
CASP3 P42574 1/20 0.41
KMT2A Q03164 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
SENP7 Q9BQF6 1/20 0.41
TLR8 Q9NR97 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.39
VEGFA P15692 1/20 0.38
PARP10 Q53GL7 1/20 0.36
SCN8A Q9UQD0 1/20 0.36
SCN10A Q9Y5Y9 1/20 0.36

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
SCHEMBL10524671 0.85 MAPT (0.40) CETPHSPB1MAPTEPAS1HTT
SCHEMBL1997338 0.83 TLR4 (0.46) CETPHSPB1SLC6A4SLC6A3SLC6A2
SCHEMBL640851 0.78 L3MBTL1 (0.51) HSPB1SLC6A4SLC6A3SLC6A2MAPT
SCHEMBL17203988 0.76 EPAS1 (0.51) CETPHSPB1MAPTEPAS1TLR8
SCHEMBL30856930 0.74 EPAS1 (0.63) CETPHSPB1SLC6A4SLC6A3SLC6A2
SCHEMBL16556058 0.74 EPAS1 (0.63) CETPHSPB1SLC6A4SLC6A3SLC6A2
SCHEMBL8673436 0.74 SLC6A4 (0.47) SLC6A4SLC6A3SLC6A2PARP10TRPV1
SCHEMBL29791297 0.74 MAPT (0.43) CETPHSPB1MAPTEPAS1HTT
SCHEMBL6117 0.73 TDP1 (0.53) HSPB1MAPTHTTMEN1KMT2A
SCHEMBL30297160 0.73 TDP1 (0.53) HSPB1MAPTHTTMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6043284-A ACYL COENZYME A: CHOLESTEROL ACYLTRANSFERASE (ACAT) INHIBITORS GLAXO WELLCOME INC. (US) 2000-03-28 US disclosed
US-5776951-A ANTICHOLESTEROL AGENT GLAXO WELLCOME INC. (US) 1998-07-07 US disclosed