SCHEMBL18544352

SCHEMBL18544352

COc1cc(/C=C/C(=O)CC(C)=O)ccc1OCCN(C(=O)O)C(C)(C)C

nearest known ligand 0.56

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
NFE2L2 Q16236 1/20 0.56
PTGES O14684 4/20 0.55
FDPS P14324 3/20 0.55
APP P05067 4/20 0.53
ACHE P22303 5/20 0.52
BCHE P06276 4/20 0.52
KDM4E B2RXH2 1/20 0.52
TOP2A P11388 1/20 0.48

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
SCHEMBL18544353 1.00 NFE2L2 (0.56) NFE2L2PTGESFDPSAPPACHE
SCHEMBL18544332 0.86 FDPS (0.53) NFE2L2PTGESFDPSAPPACHE
SCHEMBL18544333 0.86 FDPS (0.53) NFE2L2PTGESFDPSAPPACHE
SCHEMBL18544340 0.86 FDPS (0.52) NFE2L2PTGESFDPSAPPACHE
SCHEMBL18544341 0.86 FDPS (0.52) NFE2L2PTGESFDPSAPPACHE
SCHEMBL20506818 0.78 FDPS (0.59) NFE2L2PTGESFDPSAPPKDM4E
SCHEMBL18544316 0.78 NFE2L2 (0.56) NFE2L2PTGESFDPSAPPKDM4E
SCHEMBL18544315 0.78 NFE2L2 (0.56) NFE2L2PTGESFDPSAPPKDM4E
SCHEMBL1929620 0.76 KDM4E (0.48) FDPSACHEBCHEKDM4E
SCHEMBL21218182 0.75 NFE2L2 (0.74) NFE2L2PTGESFDPSAPPKDM4E

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 3 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
WO-2017032892-A1 1,7-DIARYL-1,6-HEPTADIENE-3,5-DIONE DERIVATIVES, METHODS FOR THE PRODCUTION AND USE THEREOF UNIVERSITÄTSKLINIKUM REGENSBURG (DE) 2017-03-02 WO 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