SCHEMBL20123231

SCHEMBL20123231

COC(=O)c1cc(OC)c2ccccc2c1C

nearest known ligand 0.52

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 9/20 0.52
HSD17B10 Q99714 4/20 0.52
ALDH1A1 P00352 4/20 0.52
HPGD P15428 3/20 0.52
GAA P10253 3/20 0.52
MAPT P10636 3/20 0.52
MAPK1 P28482 2/20 0.49
NPSR1 Q6W5P4 2/20 0.49
PLK1 P53350 1/20 0.47
DHODH Q02127 1/20 0.46
TSHR P16473 2/20 0.45
NR4A2 P43354 2/20 0.45
CREBBP Q92793 1/20 0.45
POLB P06746 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
CDC25B P30305 1/20 0.45
HSP90AA1 P07900 1/20 0.45
HTT P42858 1/20 0.45
LMNA P02545 1/20 0.44

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
SCHEMBL17240274 0.83 MAPT (0.50) KDM4EHSD17B10ALDH1A1HPGDGAA
SCHEMBL3741758 0.83 KDM4E (0.60) KDM4EHSD17B10ALDH1A1HPGDGAA
SCHEMBL2470133 0.81 LMNA (0.55) KDM4EHSD17B10ALDH1A1HPGDGAA
SCHEMBL7786707 0.81 LMNA (0.44) KDM4EHSD17B10ALDH1A1HPGDGAA
SCHEMBL7791053 0.81 TSHR (0.47) KDM4EHSD17B10ALDH1A1HPGDGAA
SCHEMBL244414 0.80 KDM4E (0.45) KDM4EHSD17B10ALDH1A1HPGDNPSR1
SCHEMBL24101354 0.77 PLK1 (0.70) KDM4EHSD17B10ALDH1A1HPGDGAA
SCHEMBL7677649 0.77 KDM4E (0.57) KDM4EHSD17B10ALDH1A1HPGDGAA
SCHEMBL5551334 0.76 PLK1 (0.48) KDM4EHSD17B10ALDH1A1HPGDGAA
SCHEMBL13659570 0.75 KDM4E (0.51) KDM4EHSD17B10ALDH1A1HPGDGAA

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-2203161-B1 QUINONE DERIVATIVES, PHARMACEUTICAL COMPOSITIONS, AND USES THEREOF UNIV INDIANA RES & TECH CORP (US) 2018-05-09 EP disclosed