SCHEMBL28042569

SCHEMBL28042569

NC(CCCOC(=O)C(N)CCCO)C(=O)O

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOD1 Q9Y239 2/20 0.50
GSR P00390 2/20 0.47
CYP1A2 P05177 3/20 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
GRIK1 P39086 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
SLC1A3 P43003 1/20 0.45
SLC1A2 P43004 1/20 0.45
SLC1A1 P43005 1/20 0.45
GRIA4 P48058 1/20 0.45
GRIN1 Q05586 1/20 0.45
GRIN2A Q12879 1/20 0.45
GRIK2 Q13002 1/20 0.45
GRIK3 Q13003 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
SCHEMBL59755 0.84
SCHEMBL31036022 0.84
SCHEMBL497717 0.84
SCHEMBL28525341 0.84 NOD1 (0.56) NOD1GSRGRIK1SLC1A3SLC1A2
Water SCHEMBL28187164 0.82 GSR (0.60) GSRCYP1A2GRM8GRM6GRIN2D
Methane SCHEMBL28231705 0.82 GSR (0.60) GSRCYP1A2GRM8GRM6GRIN2D
SCHEMBL11072067 0.81 NOD1 (0.50) NOD1CYP1A2CYP2C19TSHRCYP3A4
SCHEMBL27914542 0.81 GRM8 (0.50) NOD1GSRCYP1A2GRM8GRM6
SCHEMBL4944187 0.81 GSR (0.43) NOD1GSRCYP1A2GRM8GRM6
SCHEMBL44372 0.81 GSR (0.43) NOD1GSRCYP1A2GRM8GRM6

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-102762735-B Microorganisms producing 1, 4-butanediol, 4-hydroxybutyraldehyde, 4-hydroxybutyryl-COA, putrescine and related compounds and related methods 基因组股份公司 2016-08-03 CN disclosed
CN-105441374-A Microorganism for producing 1, 4-butanediol, 4-hydroxybutyraldehyde, 4-maloyl-COA, putrescine and related compound and related method thereof GENOMATICA INC 2016-03-30 CN disclosed