SCHEMBL4854826

SCHEMBL4854826

CC(C)(C)c1cc2c(c(N3CCS(=O)(=O)CC3)n1)C(=O)OCC2

nearest known ligand 0.41

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.41
ALDH1A1 P00352 1/20 0.41
HPGD P15428 1/20 0.41
HSD17B10 Q99714 1/20 0.41
HRH4 Q9H3N8 3/20 0.32
GAA P10253 1/20 0.32
MAPT P10636 1/20 0.32
MAPK1 P28482 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
MAPK14 Q16539 2/20 0.30
CNR2 P34972 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
SCHEMBL4804100 0.87 ALDH1A1 (0.55) KDM4EALDH1A1HPGDHSD17B10GAA
SCHEMBL4787866 0.81 KDM4E (0.41) KDM4EALDH1A1HPGDHSD17B10CNR2
SCHEMBL4817000 0.73 ME2 (0.44) KDM4EALDH1A1HPGDGAAMAPT
SCHEMBL4074550 0.73 KDM4E (0.62) KDM4EALDH1A1HPGDHSD17B10HRH4
SCHEMBL4063851 0.70 ALDH1A1 (0.62) KDM4EALDH1A1HPGDHSD17B10GAA
SCHEMBL4063572 0.70 ALDH1A1 (0.78) KDM4EALDH1A1HPGDHSD17B10HRH4
SCHEMBL4749965 0.70 KDM4E (0.43) KDM4EALDH1A1HPGDHSD17B10HRH4
SCHEMBL4749923 0.68 KDM4E (0.44) KDM4EALDH1A1HPGDHSD17B10GAA
SCHEMBL4746294 0.68 ALDH1A1 (0.43) KDM4EALDH1A1HPGDHSD17B10GAA
SCHEMBL4749360 0.68 ALDH1A1 (0.55) KDM4EALDH1A1HPGDHSD17B10GAA

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 2 patents. 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
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 disclosed