SCHEMBL29720984

SCHEMBL29720984

N[C@@H](CCC(=O)O)C(=O)OCc1ccccc1.[N]

nearest known ligand 0.54

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 6/20 0.54
SLC15A1 P46059 1/20 0.49
HTT P42858 1/20 0.48
ALDH1A1 P00352 3/20 0.47
IDO1 P14902 1/20 0.47
CPA3 P15088 1/20 0.46
MAPK1 P28482 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
SLC6A2 P23975 1/20 0.46
SLC6A3 Q01959 1/20 0.46
KMT2A Q03164 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
SLC1A3 P43003 1/20 0.46
SLC1A1 P43005 1/20 0.46
FOLH1 Q04609 1/20 0.46

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
SCHEMBL561573 0.98 LTA4H (0.56) LTA4HSLC15A1HTTALDH1A1IDO1
SCHEMBL124387 0.98 LTA4H (0.56) LTA4HSLC15A1HTTALDH1A1IDO1
SCHEMBL21232385 0.98 LTA4H (0.56) LTA4HSLC15A1HTTALDH1A1IDO1
SCHEMBL28192478 0.98 LTA4H (0.56) LTA4HSLC15A1HTTALDH1A1IDO1
Hydrochloric Acid SCHEMBL15266392 0.97 LTA4H (0.54) LTA4HSLC15A1HTTALDH1A1IDO1
Hydrochloric Acid SCHEMBL29398707 0.97 LTA4H (0.54) LTA4HSLC15A1HTTALDH1A1IDO1
Hydrochloric Acid SCHEMBL7263807 0.97 LTA4H (0.54) LTA4HSLC15A1HTTALDH1A1IDO1
Ethylene Glycol SCHEMBL27895455 0.94 LTA4H (0.52) LTA4HSLC15A1HTTALDH1A1IDO1
SCHEMBL27324538 0.91 LTA4H (0.59) LTA4HSLC15A1HTTALDH1A1SLC1A3
Alanine SCHEMBL4410295 0.91 LTA4H (0.50) LTA4HSLC15A1ALDH1A1CPA3SLC1A3

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
WO-2022127704-A1 PROCESS FOR PREPARING CARBOXYL CYCLIC ACID ANHYDRIDE 北京大学 2022-06-23 WO disclosed
CN-114634460-A Process for preparing carboxyanhydrides 北京大学 2022-06-17 CN disclosed