SCHEMBL21155973

SCHEMBL21155973

COc1cc(/C=C/C(=O)C(C)C(=O)/C=C/c2ccc(OCCN)c(OCCN)c2)ccc1OCCNCl

nearest known ligand 0.54

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
FDPS P14324 3/20 0.54
APP P05067 4/20 0.51
TOP2A P11388 3/20 0.51
NFE2L2 Q16236 1/20 0.50
KDM4E B2RXH2 3/20 0.49
ALDH1A1 P00352 3/20 0.48
TDP1 Q9NUW8 1/20 0.48
PTGES O14684 3/20 0.47
PSMB5 P28074 1/20 0.47
MAPT P10636 1/20 0.47
SNCA P37840 1/20 0.46
HPGD P15428 1/20 0.45
HTT P42858 1/20 0.45

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
SCHEMBL24266526 0.99 FDPS (0.55) FDPSAPPTOP2ANFE2L2KDM4E
SCHEMBL24080309 0.93 FDPS (0.59) FDPSAPPTOP2ANFE2L2KDM4E
SCHEMBL21155668 0.91 NFE2L2 (0.62) FDPSAPPTOP2ANFE2L2KDM4E
SCHEMBL20906899 0.90 FDPS (0.62) FDPSAPPTOP2ANFE2L2KDM4E
SCHEMBL21155988 0.90 FDPS (0.54) FDPSAPPTOP2ANFE2L2KDM4E
SCHEMBL19415798 0.89 NFE2L2 (0.61) FDPSAPPTOP2ANFE2L2KDM4E
SCHEMBL18570142 0.89 FDPS (0.61) FDPSAPPTOP2ANFE2L2KDM4E
SCHEMBL18569880 0.87 FDPS (0.58) FDPSAPPTOP2ANFE2L2KDM4E
SCHEMBL21156513 0.86 FDPS (0.43) FDPSAPPTOP2ANFE2L2KDM4E
SCHEMBL18570024 0.86 FDPS (0.59) FDPSAPPNFE2L2KDM4EALDH1A1

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-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