SCHEMBL13311577

SCHEMBL13311577

COc1ccc(/C=C/C(=O)CC(=O)CCc2ccc(O)cc2)cc1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 1/20 0.65
F2RL1 P55085 1/20 0.61
BACE1 P56817 7/20 0.59
AKR1B1 P15121 2/20 0.55
MAOB P27338 2/20 0.55
AKR1B10 O60218 1/20 0.55
PTGS2 P35354 1/20 0.55
GLO1 Q04760 1/20 0.55
CAMK2A Q9UQM7 1/20 0.55
CCR5 P51681 1/20 0.54
MAPT P10636 2/20 0.54
RAB9A P51151 2/20 0.54
CALM1 P0DP23 2/20 0.54
P4HB P07237 1/20 0.54
NPC1 O15118 1/20 0.54
MEN1 O00255 1/20 0.54
ALDH1A1 P00352 1/20 0.54
F3 P13726 1/20 0.54
XDH P47989 1/20 0.54
KMT2A Q03164 1/20 0.54

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
SCHEMBL1573468 0.89 AKR1B10 (0.69) BACE1AKR1B1MAOBAKR1B10PTGS2
SCHEMBL1573466 0.89 AKR1B10 (0.69) BACE1AKR1B1MAOBAKR1B10PTGS2
SCHEMBL14864159 0.87 GSK3B (0.87) GSK3BBACE1AKR1B1MAOBAKR1B10
SCHEMBL13745604 0.86 MAOB (0.59) BACE1AKR1B1MAOBAKR1B10PTGS2
SCHEMBL18509212 0.84 GSK3B (0.71) GSK3BF2RL1BACE1CCR5MAPT
SCHEMBL17019815 0.83 ABCB1 (0.76) GSK3BBACE1AKR1B1MAOBPTGS2
SCHEMBL17019816 0.83 ABCB1 (0.72) GSK3BBACE1AKR1B1MAOBPTGS2
SCHEMBL13746120 0.83 BACE1 (0.61) BACE1AKR1B1MAOBAKR1B10PTGS2
SCHEMBL3210848 0.82 BACE1 (0.71) BACE1AKR1B1AKR1B10MAPTRAB9A
SCHEMBL3210831 0.82 BACE1 (0.71) BACE1AKR1B1AKR1B10MAPTRAB9A

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-7728043-B2 Methods for treatment of beta-amyloid protein-induced ocular disease KIM DARRICK S H L 2010-06-01 US disclosed