SCHEMBL18569780

SCHEMBL18569780

COc1cc(/C=C/C(=O)CC(=O)/C=C/c2ccc(OCCOCCNC(=O)OC(C)(C)C)c(O)c2)ccc1OCCOCCNC(=O)OC(C)(C)C

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
APP P05067 4/20 0.53
MAPT P10636 2/20 0.53
BACE1 P56817 6/20 0.52
FDPS P14324 3/20 0.52
NFE2L2 Q16236 2/20 0.51
PTGES O14684 4/20 0.50
CYP2D6 P10635 2/20 0.49
CYP2C9 P11712 2/20 0.49
TSHR P16473 2/20 0.49
HSD17B10 Q99714 2/20 0.49
TOP2A P11388 2/20 0.49
CYP2C19 P33261 1/20 0.49
KDM4E B2RXH2 1/20 0.49
MEN1 O00255 1/20 0.49
HDAC3 O15379 1/20 0.49
CA12 O43570 1/20 0.49
DYRK3 O43781 1/20 0.49
PLIN1 O60240 1/20 0.49
KDM1A O60341 1/20 0.49
USP2 O75604 1/20 0.49

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
SCHEMBL18591167 0.95 FDPS (0.57) APPMAPTBACE1FDPSNFE2L2
SCHEMBL20506815 0.95 FDPS (0.57) APPMAPTBACE1FDPSNFE2L2
SCHEMBL23459430 0.94 APP (0.58) APPMAPTBACE1FDPSNFE2L2
SCHEMBL30547955 0.94 APP (0.58) APPMAPTBACE1FDPSNFE2L2
SCHEMBL18569873 0.94 APP (0.57) APPMAPTBACE1FDPSNFE2L2
SCHEMBL18569800 0.89 NFE2L2 (0.61) APPMAPTBACE1FDPSNFE2L2
SCHEMBL30884508 0.89 NFE2L2 (0.61) APPMAPTBACE1FDPSNFE2L2
SCHEMBL18569796 0.89 APP (0.62) APPMAPTBACE1NFE2L2PTGES
SCHEMBL20506836 0.89 APP (0.62) APPMAPTBACE1NFE2L2PTGES
SCHEMBL18570056 0.88 NFE2L2 (0.60) APPMAPTBACE1FDPSNFE2L2

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-3135110-A1 1,7-DIARYL-1,6-HEPTADIEN-3,5-DION DERIVATIVES, METHODS OF MAKING AND USING THE SAME Universitätsklinikum Regensburg (DE) 2017-03-01 EP disclosed