SCHEMBL6249227

SCHEMBL6249227

CC(C)(C)OC(=O)NC(CCC(=O)NCCN1CCCC1)Cc1ccccc1

nearest known ligand 0.51

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ATM Q13315 1/20 0.51
SIGMAR1 Q99720 3/20 0.48
AKT1 P31749 1/20 0.48
CYP3A4 P08684 3/20 0.47
SIRT5 Q9NXA8 1/20 0.47
BCHE P06276 1/20 0.47
ACHE P22303 1/20 0.47
ACE P12821 2/20 0.45
DRD2 P14416 1/20 0.45
CTSS P25774 2/20 0.44
CTSL P07711 1/20 0.44
CTSB P07858 1/20 0.44
CTSK P43235 1/20 0.44
APP P05067 1/20 0.43
HRH2 P25021 1/20 0.43
HRH1 P35367 1/20 0.43

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
SCHEMBL5408453 1.00 ATM (0.51) ATMSIGMAR1AKT1CYP3A4SIRT5
SCHEMBL5416328 1.00 ATM (0.51) ATMSIGMAR1AKT1CYP3A4SIRT5
SCHEMBL5403561 0.90 SIRT5 (0.54) ATMSIGMAR1AKT1CYP3A4SIRT5
SCHEMBL5408469 0.84 ATM (0.55) ATMAKT1CYP3A4ACECTSS
SCHEMBL5914356 0.82 ATM (0.55) ATMAKT1CYP3A4SIRT5ACE
SCHEMBL5414233 0.82 ATM (0.55) ATMAKT1CYP3A4SIRT5ACE
SCHEMBL5403794 0.82 AKT1 (0.71) AKT1ACECTSSCTSLCTSB
SCHEMBL16019025 0.80 SYK (0.48) ATMSIGMAR1AKT1CYP3A4SIRT5
SCHEMBL5914377 0.80 ATM (0.53) ATMAKT1CYP3A4SIRT5ACE
SCHEMBL5412208 0.80 ATM (0.53) ATMAKT1CYP3A4SIRT5ACE

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-2005044810-A1 GLYT2 MODULATORS JANSSEN PHARMACEUTICA, N.V. (BE) 2005-05-19 WO disclosed