SCHEMBL29237379

SCHEMBL29237379

COc1ccc(OC(=O)C(N)CCC(=O)O)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 1/20 0.46
HTT P42858 1/20 0.45
NPSR1 Q6W5P4 1/20 0.45
KIF11 P52732 2/20 0.45
NPC1 O15118 1/20 0.43
RAB9A P51151 1/20 0.43
FFAR1 O14842 1/20 0.43
GRIK1 P39086 2/20 0.43
GRIK2 Q13002 2/20 0.43
GRM8 O00222 2/20 0.43
GRM6 O15303 2/20 0.43
GRM4 Q14833 2/20 0.43
KDM4E B2RXH2 2/20 0.43
ALDH1A1 P00352 2/20 0.43
GAA P10253 2/20 0.43
HPGD P15428 2/20 0.43
MAPT P10636 1/20 0.43
ALOX15 P16050 1/20 0.43
CASP1 P29466 1/20 0.43
HSD17B10 Q99714 1/20 0.43

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
SCHEMBL29237375 0.88 KMT2A (0.50) HTTKIF11GRIK1GRIK2GRM8
SCHEMBL6486886 0.85 CYP1A2 (0.47) FFAR1GRIK1GRIK2GRM8GRM6
SCHEMBL6486889 0.85 CYP1A2 (0.47) FFAR1GRIK1GRIK2GRM8GRM6
Ethylene Glycol SCHEMBL27914474 0.81 LTA4H (0.44) FFAR1GRIK1GRIK2GRM8GRM6
SCHEMBL28520323 0.81 PDE4B (0.54) PDE4BHTTNPSR1NPC1RAB9A
SCHEMBL6046921 0.81 SLC7A5 (0.51) GRIK1GRIK2GRM8GRM6GRM4
SCHEMBL9346887 0.81 SLC7A5 (0.51) GRIK1GRIK2GRM8GRM6GRM4
SCHEMBL28291255 0.80 CA1 (0.44) KIF11ALDH1A1GAALDHAMEN1
Glutamic Acid SCHEMBL11624473 0.80 GRM8 (0.55) PDE4BHTTNPSR1KIF11GRIK1
Glutamic Acid SCHEMBL10804869 0.79 KIF11 (0.59) KIF11GRIK1GRIK2GRM8GRM6

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
CN-118239850-A Synthesis and application of alpha-alkyl glycine derivative 西北师范大学 2024-06-25 CN disclosed