SCHEMBL18544341

SCHEMBL18544341

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

nearest known ligand 0.52

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
FDPS P14324 3/20 0.52
KDM4E B2RXH2 2/20 0.52
ACHE P22303 7/20 0.50
BCHE P06276 6/20 0.50
NFE2L2 Q16236 1/20 0.50
APP P05067 3/20 0.48
SNCA P37840 1/20 0.48
KMT2A Q03164 1/20 0.48
ALDH1A1 P00352 1/20 0.48
HPGD P15428 1/20 0.48
ALOX15 P16050 1/20 0.48
MAPK1 P28482 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
HSD17B10 Q99714 1/20 0.48
PTGES O14684 1/20 0.46

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
SCHEMBL18544340 1.00 FDPS (0.52) FDPSKDM4EACHEBCHENFE2L2
SCHEMBL18544332 0.94 FDPS (0.53) FDPSKDM4EACHEBCHENFE2L2
SCHEMBL18544333 0.94 FDPS (0.53) FDPSKDM4EACHEBCHENFE2L2
SCHEMBL18544352 0.86 NFE2L2 (0.56) FDPSKDM4EACHEBCHENFE2L2
SCHEMBL18544353 0.86 NFE2L2 (0.56) FDPSKDM4EACHEBCHENFE2L2
SCHEMBL18570142 0.80 FDPS (0.61) FDPSKDM4EACHENFE2L2APP
SCHEMBL3003951 0.80 NFE2L2 (0.71) KDM4ENFE2L2APPKMT2AALDH1A1
SCHEMBL3003953 0.80 NFE2L2 (0.71) KDM4ENFE2L2APPKMT2AALDH1A1
SCHEMBL20906899 0.79 FDPS (0.62) FDPSKDM4EACHENFE2L2APP
SCHEMBL24080309 0.78 FDPS (0.59) FDPSKDM4ENFE2L2APPSNCA

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