SCHEMBL18544331

SCHEMBL18544331

COc1ccc(C=CC(=O)CC(=O)C=Cc2ccc(OCCNC(=O)OC(C)(C)C)c(OC)c2)cc1OC

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NFE2L2 Q16236 2/20 0.63
FDPS P14324 3/20 0.57
PTGES O14684 5/20 0.56
TOP2A P11388 2/20 0.54
APP P05067 6/20 0.53
KDM4E B2RXH2 3/20 0.52
CYP2D6 P10635 2/20 0.51
CYP2C9 P11712 2/20 0.51
TSHR P16473 2/20 0.51
HSD17B10 Q99714 2/20 0.51
KMT2A Q03164 2/20 0.51
MAPT P10636 2/20 0.51
CYP2C19 P33261 1/20 0.51
MEN1 O00255 1/20 0.51
HDAC3 O15379 1/20 0.51
CA12 O43570 1/20 0.51
DYRK3 O43781 1/20 0.51
PLIN1 O60240 1/20 0.51
KDM1A O60341 1/20 0.51
USP2 O75604 1/20 0.51

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
SCHEMBL18544330 1.00 NFE2L2 (0.63) NFE2L2FDPSPTGESTOP2AAPP
SCHEMBL18569800 0.99 NFE2L2 (0.61) NFE2L2FDPSPTGESTOP2AAPP
SCHEMBL30884508 0.99 NFE2L2 (0.61) NFE2L2FDPSPTGESTOP2AAPP
SCHEMBL18570056 0.98 NFE2L2 (0.60) NFE2L2FDPSPTGESTOP2AAPP
SCHEMBL18544315 0.95 NFE2L2 (0.56) NFE2L2FDPSPTGESTOP2AAPP
SCHEMBL18544316 0.95 NFE2L2 (0.56) NFE2L2FDPSPTGESTOP2AAPP
SCHEMBL18570023 0.95 NFE2L2 (0.56) NFE2L2FDPSPTGESTOP2AAPP
SCHEMBL18544371 0.94 NFE2L2 (0.55) NFE2L2FDPSPTGESTOP2AAPP
SCHEMBL20506836 0.94 APP (0.62) NFE2L2PTGESTOP2AAPPKDM4E
SCHEMBL18569796 0.94 APP (0.62) NFE2L2PTGESTOP2AAPPKDM4E

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3135110-B1 1,7-DIARYL-1,6-HEPTADIEN-3,5-DION DERIVATIVES, METHODS OF MAKING AND USING THE SAME TRIOPTOTEC GMBH (DE) 2019-07-10 EP disclosed
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