SCHEMBL30925943

SCHEMBL30925943

CC(C)(C)OC(=O)N1CCCC(Br)C1=O

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ROCK2 O75116 1/20 0.43
PDE4A P27815 1/20 0.42
PDE4B Q07343 1/20 0.42
PDE4C Q08493 1/20 0.42
PDE4D Q08499 1/20 0.42
ELANE P08246 1/20 0.41
HPGD P15428 1/20 0.40
UCHL1 P09936 1/20 0.39
EPHX1 P07099 1/20 0.38
MAPT P10636 2/20 0.38
HSD17B10 Q99714 1/20 0.38
KDM4E B2RXH2 1/20 0.38
THRB P10828 1/20 0.38
MEN1 O00255 1/20 0.37
ALDH1A1 P00352 1/20 0.37
KMT2A Q03164 1/20 0.37
CHRM2 P08172 1/20 0.37
CHRM1 P11229 1/20 0.37
CHRM3 P20309 1/20 0.37
PREP P48147 1/20 0.37

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
SCHEMBL17977215 0.90 ROCK2 (0.47) ROCK2PDE4APDE4BPDE4CPDE4D
SCHEMBL25323472 0.83 PDE4A (0.43) PDE4APDE4BPDE4CPDE4DHPGD
SCHEMBL3805162 0.83 PDE4A (0.43) PDE4APDE4BPDE4CPDE4DHPGD
SCHEMBL29095162 0.83 PDE4A (0.43) PDE4APDE4BPDE4CPDE4DHPGD
SCHEMBL4705113 0.81 PDE4A (0.42) PDE4APDE4BPDE4CPDE4DHPGD
SCHEMBL1261955 0.81 PDE4A (0.45) PDE4APDE4BPDE4CPDE4DHPGD
SCHEMBL31506527 0.80 PDE4A (0.44) PDE4APDE4BPDE4CPDE4DHPGD
SCHEMBL31556668 0.79 PDE4A (0.43) PDE4APDE4BPDE4CPDE4DHPGD
SCHEMBL5787292 0.78 PDE4A (0.40) PDE4APDE4BPDE4CPDE4DHPGD
SCHEMBL26663249 0.78 PDE4B (0.45) PDE4APDE4BPDE4CPDE4DHPGD

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-2024084390-A1 COMPOUNDS FOR THE ACTIVATION OF AMPK PFIZER INC. (US) 2024-04-25 WO disclosed