SCHEMBL7983676

SCHEMBL7983676

CC(C)(C)OC(=O)N1CCCCC1CCI

nearest known ligand 0.47

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ATM Q13315 2/20 0.47
KDM1A O60341 1/20 0.45
PDE8B O95263 1/20 0.45
HSD17B10 Q99714 1/20 0.42
CHEK2 O96017 1/20 0.41
HPGD P15428 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.40
EPHX1 P07099 1/20 0.40
ALDH1A1 P00352 1/20 0.39
PREP P48147 1/20 0.38
OPRD1 P41143 1/20 0.38
NPC1 O15118 1/20 0.38

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
SCHEMBL21597007 0.88 PDE8B (0.47) ATMKDM1APDE8BHSD17B10HPGD
SCHEMBL7986307 0.88 PDE8B (0.47) ATMKDM1APDE8BHSD17B10HPGD
SCHEMBL32687105 0.87 ATM (0.44) ATMPDE8BHSD17B10CHEK2SMN1; SMN2
SCHEMBL20828130 0.87 ATM (0.60) ATMKDM1APDE8BHSD17B10CHEK2
SCHEMBL2345014 0.87 ATM (0.51) ATMKDM1APDE8BHSD17B10CHEK2
SCHEMBL2354644 0.87 ATM (0.51) ATMKDM1APDE8BHSD17B10CHEK2
SCHEMBL1551631 0.87 ATM (0.51) ATMKDM1APDE8BHSD17B10CHEK2
SCHEMBL20828126 0.87 ATM (0.60) ATMKDM1APDE8BHSD17B10CHEK2
SCHEMBL2687901 0.87 ATM (0.60) ATMKDM1APDE8BHSD17B10CHEK2
SCHEMBL6597261 0.86 PDE8B (0.47) ATMKDM1APDE8BHSD17B10CHEK2

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
US-6265434-B1 ANTIINFLAMMATORY AGENTS MERCK & CO., INC. 2001-07-24 US disclosed