SCHEMBL4804100

SCHEMBL4804100

CC(C)(C)c1cc2c(c(N3CCOCC3)n1)C(=O)OCC2

nearest known ligand 0.55

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.55
KDM4E B2RXH2 4/20 0.55
HPGD P15428 1/20 0.55
HSD17B10 Q99714 1/20 0.55
LMNA P02545 2/20 0.40
PIK3CA P42336 3/20 0.38
ERAP1 Q9NZ08 1/20 0.38
MAPT P10636 2/20 0.37
POLB P06746 1/20 0.36
PRKDC P78527 1/20 0.36
L3MBTL1 Q9Y468 4/20 0.36
KMT2A Q03164 3/20 0.35
HTT P42858 1/20 0.35
MEN1 O00255 2/20 0.34
ATM Q13315 1/20 0.34
GAA P10253 1/20 0.34

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
SCHEMBL4854826 0.87 KDM4E (0.41) ALDH1A1KDM4EHPGDHSD17B10MAPT
SCHEMBL4063572 0.83 ALDH1A1 (0.78) ALDH1A1KDM4EHPGDHSD17B10LMNA
SCHEMBL4749360 0.80 ALDH1A1 (0.55) ALDH1A1KDM4EHPGDHSD17B10LMNA
SCHEMBL4064270 0.79 HSD17B10 (0.51) ALDH1A1KDM4EHPGDHSD17B10LMNA
SCHEMBL4067973 0.78 KDM4E (0.53) ALDH1A1KDM4EHPGDHSD17B10PIK3CA
SCHEMBL4817000 0.75 ME2 (0.44) ALDH1A1KDM4EHPGDLMNAMAPT
SCHEMBL4074550 0.73 KDM4E (0.62) ALDH1A1KDM4EHPGDHSD17B10L3MBTL1
SCHEMBL4063851 0.73 ALDH1A1 (0.62) ALDH1A1KDM4EHPGDHSD17B10LMNA
SCHEMBL4749923 0.71 KDM4E (0.44) ALDH1A1KDM4EHPGDHSD17B10MAPT
SCHEMBL4248277 0.70 HSD17B10 (0.45) ALDH1A1KDM4EHPGDHSD17B10LMNA

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