SCHEMBL4737412

SCHEMBL4737412

CC(C)C(N)C(=O)NCCCC(=O)O

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ECE1 P42892 3/20 0.47
ADRA1A P35348 1/20 0.44
PRMT1 Q99873 1/20 0.42
PLA2G4A P47712 1/20 0.41
GABRP O00591 2/20 0.41
GABRD O14764 2/20 0.41
GABRA1 P14867 2/20 0.41
GABRB1 P18505 2/20 0.41
GABRG2 P18507 2/20 0.41
GABRB3 P28472 2/20 0.41
GABRA5 P31644 2/20 0.41
GABRA3 P34903 2/20 0.41
GABRA2 P47869 2/20 0.41
GABRB2 P47870 2/20 0.41
GABRA4 P48169 2/20 0.41
GABRE P78334 2/20 0.41
GABRA6 Q16445 2/20 0.41
GABRG1 Q8N1C3 2/20 0.41
GABRG3 Q99928 2/20 0.41
GABRQ Q9UN88 2/20 0.41

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
SCHEMBL4737410 1.00 ECE1 (0.47) ECE1ADRA1APRMT1PLA2G4AGABRP
SCHEMBL7400813 0.89 ECE1 (0.59) ECE1GABRPGABRDGABRA1GABRB1
SCHEMBL9446158 0.87 CTSC (0.43) ECE1ADRA1APRMT1PLA2G4AGABRP
SCHEMBL9115185 0.86 DPP7 (0.46) ECE1SLC7A5DPP7DPP4FAP
SCHEMBL27765049 0.85 ADRA1A (0.47) ECE1ADRA1APRMT1PLA2G4AGABRP
SCHEMBL8389957 0.85 ADRA1A (0.47) ECE1ADRA1APRMT1PLA2G4AGABRP
SCHEMBL16559564 0.84 ALDH1A2 (0.50) DPP7DPP4FAPDPP8DPP9
SCHEMBL16178050 0.82 ADRA1A (0.50) ECE1ADRA1APRMT1DPP7TLR2
SCHEMBL6129730 0.81 DPP7 (0.55) DPP7DPP4DPP8DPP9
SCHEMBL20750890 0.81 DPP7 (0.55) DPP7DPP4DPP8DPP9

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-2008066729-A2 BORONIC ACID CONTAINING COMPOSITIONS DARA BIOSCIENCES, INC. (US) 2008-06-05 WO disclosed