SCHEMBL4746294

SCHEMBL4746294

CC(C)c1cc2c(c(N3CCCCC3)n1)C(=O)OCC2

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.43
KDM4E B2RXH2 4/20 0.43
HPGD P15428 4/20 0.43
HSD17B10 Q99714 3/20 0.43
MAPT P10636 3/20 0.37
MAPK1 P28482 1/20 0.37
NPY5R Q15761 1/20 0.32
PGR P06401 2/20 0.32
KDM5A P29375 1/20 0.32
HTT P42858 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.30
MEN1 O00255 1/20 0.30
NPC1 O15118 1/20 0.30
GAA P10253 1/20 0.30
PKM P14618 1/20 0.30
TSHR P16473 1/20 0.30
CASP1 P29466 1/20 0.30
RAB9A P51151 1/20 0.30
CASP7 P55210 1/20 0.30
KMT2A Q03164 1/20 0.30

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
SCHEMBL4749923 0.99 KDM4E (0.44) ALDH1A1KDM4EHPGDHSD17B10MAPT
SCHEMBL4749360 0.90 ALDH1A1 (0.55) ALDH1A1KDM4EHPGDHSD17B10MAPK1
SCHEMBL4749965 0.90 KDM4E (0.43) ALDH1A1KDM4EHPGDHSD17B10MAPK1
SCHEMBL4749356 0.88 KDM4E (0.42) ALDH1A1KDM4EHPGDHSD17B10MAPK1
SCHEMBL4787866 0.87 KDM4E (0.41) ALDH1A1KDM4EHPGDHSD17B10OGA
SCHEMBL4063851 0.83 ALDH1A1 (0.62) ALDH1A1KDM4EHPGDHSD17B10MAPT
SCHEMBL4747065 0.83 LIPE (0.40) ALDH1A1KDM4EHPGDHSD17B10MAPT
SCHEMBL4749859 0.82 ALDH1A1 (0.43) ALDH1A1KDM4EHPGDHSD17B10MAPT
SCHEMBL4787804 0.82 KDM4E (0.44) ALDH1A1KDM4EHPGDHSD17B10MEN1
SCHEMBL4746748 0.78 L3MBTL1 (0.44) ALDH1A1KDM4EHSD17B10MAPTMAPK1

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
WO-2008123756-A1 A PHARMACEUTICAL COMPOSITIONS CONTAINING LACTON TYPE PYRIDINE DERIVATIVES AS AN EFFECTIVE INGREDIENT FOR THE PREVENTION AND TREATMENT OF ISCHEMIA SK CHEMICALS CO., LTD. (KR) 2008-10-16 WO claimed