SCHEMBL6141202

SCHEMBL6141202

[CH2]C#Cc1ccc(OC(F)(F)F)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACACB O00763 1/20 0.42
MAOB P27338 1/20 0.41
AOC3 Q16853 1/20 0.41
MAPT P10636 3/20 0.40
EPHX2 P34913 1/20 0.40
ALDH1A1 P00352 2/20 0.38
TSHR P16473 2/20 0.38
MEN1 O00255 1/20 0.38
TP53 P04637 1/20 0.38
CYP3A4 P08684 1/20 0.38
ALOX15 P16050 1/20 0.38
BLM P54132 1/20 0.38
KMT2A Q03164 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
HIF1A Q16665 1/20 0.38
HSD17B10 Q99714 1/20 0.38
EPAS1 Q99814 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
GPR3 P46089 1/20 0.37
FFAR1 O14842 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
SCHEMBL28659226 0.87 ACACB (0.50) ACACBMAOBAOC3MAPTEPHX2
SCHEMBL16582448 0.79 ACACB (0.46) ACACBMAOBAOC3MAPTEPHX2
SCHEMBL3485669 0.79 ACACB (0.42) ACACBMAOBAOC3MAPTEPHX2
SCHEMBL7926382 0.79 ACACB (0.42) ACACBMAOBAOC3MAPTEPHX2
SCHEMBL403812 0.79 APP (0.50) ACACBMAOBAOC3MAPTEPHX2
SCHEMBL9636889 0.78 MAPT (0.42) ACACBMAOBAOC3MAPTEPHX2
SCHEMBL10300052 0.78 APP (0.57) ACACBMAOBAOC3L3MBTL1
SCHEMBL16841023 0.78 ACACB (0.44) ACACBMAOBAOC3MAPTEPHX2
SCHEMBL2232071 0.78 APP (0.57) ACACBMAOBAOC3MAPTEPHX2
SCHEMBL17225200 0.78 ACACB (0.48) ACACBMAOBAOC3MAPTEPHX2

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
EP-1517881-A1 4-(3,3-DIHALO-ALLYLOXY)PHENOXY ALKYL DERIVATIVES Syngenta Participations AG (CH) 2005-03-30 EP disclosed
WO-2004002943-A1 4-(3,3-DIHALO-ALLYLOXY)PHENOXY ALKYL DERIVATIVES SYNGENTA PARTICIPATIONS AG (CH) 2004-01-08 WO disclosed