SCHEMBL3630481

SCHEMBL3630481

COc1cc(OCCOCCO)ccc1-c1cn2cc(I)ccc2n1

nearest known ligand 0.50

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TLR9 Q9NR96 10/20 0.50
TLR7 Q9NYK1 9/20 0.43
ALDH1A3 P47895 3/20 0.38
TLR8 Q9NR97 2/20 0.38
SUV39H2 Q9H5I1 4/20 0.37
MAPT P10636 2/20 0.36
APP P05067 1/20 0.36
KDM4E B2RXH2 1/20 0.36
NPC1 O15118 1/20 0.36
ALDH1A1 P00352 1/20 0.36
LMNA P02545 1/20 0.36
RAB9A P51151 1/20 0.36
SMN1; SMN2 Q16637 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
SCHEMBL3627420 0.94 TLR9 (0.54) TLR9TLR7ALDH1A3TLR8SUV39H2
SCHEMBL3628363 0.79 TLR9 (0.49) TLR9TLR7ALDH1A3TLR8SUV39H2
SCHEMBL3629663 0.75 TLR9 (0.44) TLR9TLR7ALDH1A3TLR8KDM4E
SCHEMBL1726360 0.74 APP (0.56) ALDH1A3APPKDM4ENPC1ALDH1A1
SCHEMBL1727248 0.73 RAB9A (0.48) ALDH1A3MAPTAPPKDM4ENPC1
SCHEMBL1728195 0.70 APP (0.53) ALDH1A3APPKDM4ENPC1ALDH1A1
SCHEMBL20445927 0.70 SUV39H2 (0.65) SUV39H2
SCHEMBL3625931 0.70 RAB9A (0.57) ALDH1A3MAPTAPPKDM4ENPC1
SCHEMBL796015 0.69 APP (0.59) ALDH1A3APPKDM4ENPC1ALDH1A1
SCHEMBL1472692 0.67 CYP2C9 (0.59) TLR9TLR7ALDH1A3TLR8MAPT

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
EP-2213671-A1 NOVEL COMPOUND HAVING AFFINITY FOR AMYLOID Nihon Medi-Physics Co., Ltd. (JP) 2010-08-04 EP disclosed