SCHEMBL6750348

SCHEMBL6750348

[CH2]CCCCCOc1ccc(I)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
APP P05067 3/20 0.47
KCNA3 P22001 1/20 0.43
PRMT1 Q99873 3/20 0.41
F2 P00734 2/20 0.41
ST14 Q9Y5Y6 2/20 0.41
PLAU P00749 1/20 0.41
GAA P10253 1/20 0.41
PRMT5 O14744 1/20 0.41
NR5A1 Q13285 1/20 0.41
SLC22A2 O15244 1/20 0.41
SLC22A1 O15245 1/20 0.41
TMPRSS2 O15393 1/20 0.41
PTP4A3 O75365 1/20 0.41
SLC22A3 O75751 1/20 0.41
F10 P00742 1/20 0.41
PLG P00747 1/20 0.41
S100B P04271 1/20 0.41
CHRM2 P08172 1/20 0.41
CHRM4 P08173 1/20 0.41
CHRM5 P08912 1/20 0.41

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
SCHEMBL6469917 0.91 APP (0.50) APPKCNA3
SCHEMBL5540965 0.85 APP (0.52) APP
SCHEMBL8393205 0.81 APP (0.48) APPKCNA3PRMT1F2ST14
SCHEMBL12162919 0.81 APP (0.48) APPKCNA3PRMT1F2ST14
SCHEMBL8458055 0.81 NR5A1 (0.62) GAANR5A1CYP2D6
SCHEMBL6748734 0.79 MAPT (0.51) APPGAANR5A1DRD3KCNH2
SCHEMBL14137005 0.79 APP (0.48) APPKCNA3GAANR5A1
SCHEMBL21551509 0.79 NR5A1 (0.66) GAANR5A1
SCHEMBL21114104 0.79 APP (0.47) APPPRMT1F2ST14PLAU
SCHEMBL8778598 0.79 DRD2 (0.55) GAANR5A1DRD3KCNH2

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
US-6706739-B2 TREATING ENTEROVIRUS INFECTION NATIONAL HEALTH RESEARCH INSTITUTE (TW) 2004-03-16 US disclosed