SCHEMBL16705148

SCHEMBL16705148

CCOC(=O)/N=N\C(=O)OCC1C[C@@H]2C=C[C@H]1C2

nearest known ligand 0.38

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 12/20 0.38
ALDH1A1 P00352 5/20 0.38
PKM P14618 2/20 0.34
MAPT P10636 1/20 0.34
MAPK1 P28482 1/20 0.34
POLB P06746 1/20 0.33
ALOX15 P16050 1/20 0.33
TDP1 Q9NUW8 3/20 0.33
MEN1 O00255 2/20 0.32
KMT2A Q03164 2/20 0.32
HTT P42858 1/20 0.32
CYP1A2 P05177 1/20 0.32
CYP3A4 P08684 1/20 0.32
CYP2C19 P33261 1/20 0.32
LMNA P02545 1/20 0.32
EPHX2 P34913 2/20 0.31

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
SCHEMBL16704804 1.00 KDM4E (0.38) KDM4EALDH1A1PKMMAPTMAPK1
SCHEMBL2327752 0.92 KDM4E (0.37) KDM4EALDH1A1PKMMAPTMAPK1
SCHEMBL736786 0.92 KDM4E (0.37) KDM4EALDH1A1PKMMAPTMAPK1
SCHEMBL21646820 0.83 ALDH1A1 (0.42) KDM4EALDH1A1PKMMAPTMAPK1
SCHEMBL5358221 0.83 ALDH1A1 (0.42) KDM4EALDH1A1PKMMAPTMAPK1
SCHEMBL6537287 0.83 KDM4E (0.41) KDM4EALDH1A1PKMMAPTMAPK1
SCHEMBL457240 0.78 KDM4E (0.41) KDM4EALDH1A1PKMMAPTMAPK1
SCHEMBL13443362 0.78 KDM4E (0.40) KDM4EALDH1A1PKMMAPTMAPK1
SCHEMBL14544703 0.78 KDM4E (0.40) KDM4EALDH1A1PKMMAPTMAPK1
SCHEMBL13714698 0.78 KDM4E (0.40) KDM4EALDH1A1PKMMAPTMAPK1

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
US-9029457-B2 Silica-supported oligomeric hybrid materials THE UNIVERSITY OF KANSAS (US) 2015-05-12 US disclosed