SCHEMBL21025286

SCHEMBL21025286

COc1ccc([C@@H]2CC2C(=O)n2c(=O)[nH]c3ccccc32)cc1OC

nearest known ligand 0.48

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
APP P05067 2/20 0.48
PDE4A P27815 2/20 0.43
PDE4B Q07343 2/20 0.43
PDE4C Q08493 2/20 0.43
PDE4D Q08499 2/20 0.43
MEN1 O00255 1/20 0.40
ALDH1A1 P00352 1/20 0.40
ALOX12 P18054 1/20 0.40
KMT2A Q03164 1/20 0.40
HSD11B1 P28845 2/20 0.40
TLR4 O00206 1/20 0.39
ABCB1 P08183 1/20 0.39
ABCG2 Q9UNQ0 1/20 0.39
TRPM5 Q9NZQ8 1/20 0.39
ACHE P22303 1/20 0.39

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
SCHEMBL9607146 1.00 APP (0.48) APPPDE4APDE4BPDE4CPDE4D
SCHEMBL12723382 0.93 HSD11B1 (0.43) APPHSD11B1
SCHEMBL9607147 0.88 APP (0.47) APPPDE4APDE4BPDE4CPDE4D
SCHEMBL13556269 0.84 HSD11B1 (0.45) HSD11B1
SCHEMBL21025285 0.81 HSD11B1 (0.42) APPALDH1A1HSD11B1
SCHEMBL9607276 0.76 APP (0.45) APPPDE4APDE4BPDE4CPDE4D
SCHEMBL20107545 0.76 APP (0.45) APPPDE4APDE4BPDE4CPDE4D
SCHEMBL13556274 0.72 HSD11B1 (0.38) ALDH1A1HSD11B1
SCHEMBL2952559 0.71 APP (0.55) APPPDE4APDE4BPDE4CPDE4D
SCHEMBL7002284 0.71 APP (0.55) APPPDE4APDE4BPDE4CPDE4D

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-3485883-A1 METHODS OF TREATING EYE DISEASES ASSOCIATED WITH INFLAMMATION AND VASCULAR PROLIFERATION OccuRx Pty Ltd (AU) 2019-05-22 EP disclosed