SCHEMBL27774271

SCHEMBL27774271

FC(F)Oc1ccc(C#Cc2c[c]ccc2)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACACB O00763 5/20 0.40
PPARG P37231 1/20 0.39
PPARA Q07869 1/20 0.39
DRD1 P21728 1/20 0.33
ALDH1A1 P00352 4/20 0.33
MEN1 O00255 3/20 0.33
KMT2A Q03164 3/20 0.33
ALOX15 P16050 2/20 0.33
FFAR1 O14842 1/20 0.33
LMNA P02545 1/20 0.33
HSP90AA1 P07900 1/20 0.33
PKM P14618 1/20 0.33
HPGD P15428 1/20 0.33
HTT P42858 1/20 0.33
CCR6 P51684 1/20 0.33
ATM Q13315 1/20 0.33
GFER P55789 1/20 0.33
ADAM17 P78536 1/20 0.33
NPC1 O15118 2/20 0.32
MAPT P10636 2/20 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
SCHEMBL2791751 0.81 PPARG (0.54) ACACBPPARGPPARADRD1ALDH1A1
SCHEMBL2797770 0.80 ACACB (0.51) ACACBPPARGPPARADRD1ALDH1A1
SCHEMBL163916 0.79 DRD1 (0.37) DRD1ALDH1A1MEN1KMT2AALOX15
SCHEMBL28019240 0.75 APP (0.37) FFAR1MAPTAPP
SCHEMBL2188836 0.74 APP (0.57) ALDH1A1MEN1KMT2AALOX15FFAR1
SCHEMBL5496752 0.73 TSHR (0.46) ALDH1A1FFAR1MAPTAPP
SCHEMBL9060995 0.72 ACACB (0.49) ACACBPPARGPPARADRD1ALDH1A1
SCHEMBL4268626 0.72 APP (0.37) MAPTAPP
SCHEMBL5495027 0.72 APP (0.47) ALDH1A1MEN1KMT2AALOX15FFAR1
SCHEMBL5492434 0.72 MAPT (0.59) ALDH1A1MEN1KMT2AFFAR1HPGD

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
CN-101663281-A Amino-5- [ 4- (difluoromethoxy) phenyl ] -5-phenylimidazolidinone compounds which inhibit the beta-secretase enzyme WYETH CORP 2010-03-03 CN disclosed