SCHEMBL28935537

SCHEMBL28935537

CCC(CN)CCC(N)C(=O)O

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GCLC P48506 2/20 0.49
GSR P00390 2/20 0.47
SLC1A3 P43003 3/20 0.45
SLC1A2 P43004 3/20 0.45
SLC1A1 P43005 3/20 0.45
GRIK1 P39086 2/20 0.45
GRIK2 Q13002 2/20 0.45
ALDH1A1 P00352 2/20 0.45
TDP1 Q9NUW8 1/20 0.45
GRM8 O00222 1/20 0.45
GRM6 O15303 1/20 0.45
GRIN2D O15399 1/20 0.45
GRIN3B O60391 1/20 0.45
CYP1A2 P05177 1/20 0.45
GRM5 P41594 1/20 0.45
GRIA1 P42261 1/20 0.45
GRIA2 P42262 1/20 0.45
GRIA3 P42263 1/20 0.45
GRIA4 P48058 1/20 0.45
GRIN1 Q05586 1/20 0.45

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
SCHEMBL28935535 1.00 GCLC (0.49) GCLCGSRSLC1A3SLC1A2SLC1A1
SCHEMBL25342795 0.89 GCLC (0.53) GCLCGSRSLC1A3SLC1A2SLC1A1
Hydrochloric Acid SCHEMBL28550970 0.87 GCLC (0.52) GCLCGSRSLC1A3SLC1A2SLC1A1
SCHEMBL9336710 0.81 GRIK1 (0.54) GSRSLC1A3SLC1A2SLC1A1GRIK1
SCHEMBL7703927 0.81 GGT1 (0.48) GSRSLC1A3SLC1A2SLC1A1GRIK1
SCHEMBL19607389 0.81 GABRR1 (0.58) ALDH1A1TDP1CYP1A2BLM
SCHEMBL5325110 0.80 KMT2A (0.50) GCLCGSRSLC1A3SLC1A2SLC1A1
SCHEMBL16241036 0.76 ALDH1A1 (0.68) ALDH1A1TDP1
SCHEMBL602426 0.76 GSR (0.68) GSRSLC1A3SLC1A2SLC1A1GRIK1
SCHEMBL8068164 0.76 GSR (0.68) GSRSLC1A3SLC1A2SLC1A1GRIK1

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-114507306-B Tricarboxylic acid compound and preparation method and application thereof 广州伊莱新材料有限公司 2024-02-27 CN disclosed
CN-114507306-A Tricarboxylic acid compound and preparation method and application thereof 广州伊莱新材料有限公司 2022-05-17 CN disclosed