SCHEMBL30730971

SCHEMBL30730971

CC(C)C[C@@H](CCC(=O)O)C(N)=O

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRP O00591 2/20 0.50
GABRD O14764 2/20 0.50
GABRA1 P14867 2/20 0.50
GABRB1 P18505 2/20 0.50
GABRG2 P18507 2/20 0.50
GABRB3 P28472 2/20 0.50
GABRA5 P31644 2/20 0.50
GABRA3 P34903 2/20 0.50
GABRA2 P47869 2/20 0.50
GABRB2 P47870 2/20 0.50
GABRA4 P48169 2/20 0.50
GABRE P78334 2/20 0.50
GABRA6 Q16445 2/20 0.50
GABRG1 Q8N1C3 2/20 0.50
GABRG3 Q99928 2/20 0.50
GABRQ Q9UN88 2/20 0.50
CYP1A2 P05177 2/20 0.45
FOLH1 Q04609 7/20 0.44
SLC1A3 P43003 2/20 0.44
SLC1A2 P43004 2/20 0.44

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
SCHEMBL30730974 1.00 GABRP (0.50) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL28650038 0.85 SLC1A3 (0.41) FOLH1SLC1A3SLC1A2SLC7A5SLC1A1
SCHEMBL2015915 0.83 FOLH1 (0.58) CYP1A2FOLH1SLC1A3SLC1A2GRM3
SCHEMBL28552864 0.81 KISS1R (0.53) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL276673 0.79 SLC1A3 (0.50) SLC1A3SLC1A2SLC7A5CACNA2D1CACNB3
SCHEMBL3914198 0.78 CA1 (0.48) SLC1A3SLC1A2SLC7A5GRIK1SLC1A1
SCHEMBL16588725 0.78 SLC1A3 (0.42) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL10000212 0.78 CACNA2D1 (0.52) FOLH1SLC1A3SLC1A2SLC7A5CACNA2D1
SCHEMBL28946386 0.78 CA1 (0.59) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL7094095 0.78 CACNA2D1 (0.52) FOLH1SLC1A3SLC1A2SLC7A5CACNA2D1

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
CN-113502305-B Method for synthesizing (R) -isobutyl glutarate monoamide by utilizing recombinant imidinase 台州学院 2024-01-30 CN claimed
CN-113502305-B Method for synthesizing (R) -isobutyl glutarate monoamide by utilizing recombinant imidinase 台州学院 2024-01-30 CN disclosed