SCHEMBL6023474

SCHEMBL6023474

COc1ccc(C(N)=O)c(CCO)c1CCO

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 3/20 0.40
HPGDS O60760 1/20 0.40
NNMT P40261 1/20 0.39
MAPT P10636 3/20 0.39
GAA P10253 1/20 0.39
PARP10 Q53GL7 4/20 0.39
PARP15 Q460N3 3/20 0.39
KDM4E B2RXH2 3/20 0.38
TDP1 Q9NUW8 2/20 0.38
ALDH1A1 P00352 2/20 0.38
POLB P06746 1/20 0.38
CTDSP1 Q9GZU7 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
LMNA P02545 3/20 0.38
HTT P42858 1/20 0.38
MKNK1 Q9BUB5 1/20 0.38
MKNK2 Q9HBH9 1/20 0.38
PARP14 Q460N5 1/20 0.37
HSD17B10 Q99714 2/20 0.37
CYP3A4 P08684 2/20 0.37

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
SCHEMBL31534667 0.87 TDP1 (0.45) MAPK1NNMTMAPTPARP10PARP15
SCHEMBL29421066 0.84 SIRT1 (0.39) MAPK1NNMTMAPTKDM4ETDP1
SCHEMBL7109139 0.84 SIRT1 (0.39) MAPK1NNMTMAPTKDM4ETDP1
SCHEMBL5574855 0.79 MAPK1 (0.45) MAPK1NNMTMAPTPARP10PARP15
SCHEMBL6971433 0.77 NEK2 (0.41) MAPK1MAPTGAAALDH1A1POLB
SCHEMBL31616437 0.76 LMNA (0.42) MAPK1NNMTMAPTTDP1LMNA
SCHEMBL12327438 0.74 TDP1 (0.41) NNMTMAPTPARP10KDM4ETDP1
SCHEMBL28778944 0.73 MAPT (0.48) MAPK1MAPTPARP15KDM4EALDH1A1
SCHEMBL9780995 0.73 ERN1 (0.41) MAPK1NNMTMAPTKDM4EALDH1A1
SCHEMBL787520 0.73 MAPT (0.59) MAPK1NNMTMAPTGAAKDM4E

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-2006528597-A 2006-12-21 JP claimed
EP-1658263-A1 NOVEL AMINOBENZOPHENONE COMPOUNDS Leo Pharma A/S (DK) 2006-05-24 EP claimed
WO-2005009940-A1 NOVEL AMINOBENZOPHENONE COMPOUNDS LEO PHARMA A/S (DK) 2005-02-03 WO claimed
EP-1658263-A1 NOVEL AMINOBENZOPHENONE COMPOUNDS Leo Pharma A/S (DK) 2006-05-24 EP disclosed
WO-2005009940-A1 NOVEL AMINOBENZOPHENONE COMPOUNDS LEO PHARMA A/S (DK) 2005-02-03 WO disclosed