SCHEMBL5509262

SCHEMBL5509262

CC(C)(C)OC(=O)N1CCCC(CCC(N)=O)C1

nearest known ligand 0.53

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.50
ALDH1A1 P00352 1/20 0.50
MAPT P10636 1/20 0.50
KMT2A Q03164 1/20 0.50
BACE1 P56817 2/20 0.49
CTSD P07339 1/20 0.49
GLS O94925 2/20 0.46
CYP2C9 P11712 1/20 0.45
HPGD P15428 1/20 0.45
ACKR3 P25106 1/20 0.44
FPR3 P25089 1/20 0.43
FPR2 P25090 1/20 0.43
NR1H2 P55055 1/20 0.43
FEN1 P39748 2/20 0.42
KDM1A O60341 1/20 0.42
SCN9A Q15858 1/20 0.42
CHEK2 O96017 1/20 0.42
ALOX5AP P20292 1/20 0.41
EPHX1 P07099 1/20 0.40

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
SCHEMBL31747257 0.93 MEN1 (0.49) MEN1ALDH1A1MAPTKMT2ABACE1
SCHEMBL31421482 0.92 FAAH (0.45) MEN1ALDH1A1MAPTKMT2ABACE1
SCHEMBL31420827 0.92 FAAH (0.45) MEN1ALDH1A1MAPTKMT2ABACE1
SCHEMBL307201 0.88 MEN1 (0.51) MEN1ALDH1A1MAPTKMT2ABACE1
SCHEMBL13308544 0.88 MEN1 (0.51) MEN1ALDH1A1MAPTKMT2ABACE1
SCHEMBL13308546 0.88 MEN1 (0.51) MEN1ALDH1A1MAPTKMT2ABACE1
SCHEMBL31420749 0.86 MEN1 (0.52) MEN1ALDH1A1MAPTKMT2ABACE1
SCHEMBL30924500 0.86 MEN1 (0.52) MEN1ALDH1A1MAPTKMT2ABACE1
SCHEMBL309109 0.86 MEN1 (0.52) MEN1ALDH1A1MAPTKMT2ABACE1
SCHEMBL23581864 0.86 GLS (0.53) MEN1ALDH1A1MAPTKMT2ABACE1

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
EP-1799676-A2 NEW BICYCLIC ANTIBIOTICS Actelion Pharmaceuticals Ltd. (CH) 2007-06-27 EP disclosed
WO-2006032466-A2 NEW BICYCLIC ANTIBIOTICS ACTELION PHARMACEUTICALS LTD (CH) 2006-03-30 WO disclosed