SCHEMBL28632829

SCHEMBL28632829

CCCCCCCCNC(CC(C)C)C(=O)O

nearest known ligand 0.58

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PLA2G2A P14555 2/20 0.58
PLA2G5 P39877 2/20 0.58
NOD1 Q9Y239 2/20 0.48
MMP8 P22894 1/20 0.47
ALDH1A1 P00352 2/20 0.47
EPHX1 P07099 6/20 0.46
BCHE P06276 1/20 0.46
PLA2G10 O15496 2/20 0.45
MEN1 O00255 1/20 0.44
LMNA P02545 1/20 0.44
KMT2A Q03164 1/20 0.44
MAPT P10636 2/20 0.43
SMN1; SMN2 Q16637 1/20 0.42

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
SCHEMBL30945839 1.00 PLA2G2A (0.58) PLA2G2APLA2G5NOD1MMP8ALDH1A1
SCHEMBL13279088 1.00 PLA2G2A (0.58) PLA2G2APLA2G5NOD1MMP8ALDH1A1
SCHEMBL11796883 1.00 PLA2G2A (0.58) PLA2G2APLA2G5NOD1MMP8ALDH1A1
SCHEMBL8899000 1.00 PLA2G2A (0.58) PLA2G2APLA2G5NOD1MMP8ALDH1A1
SCHEMBL25335826 1.00 PLA2G2A (0.58) PLA2G2APLA2G5NOD1MMP8ALDH1A1
SCHEMBL8674369 1.00 PLA2G2A (0.58) PLA2G2APLA2G5NOD1MMP8ALDH1A1
SCHEMBL25335737 1.00 PLA2G2A (0.58) PLA2G2APLA2G5NOD1MMP8ALDH1A1
SCHEMBL13279091 1.00 PLA2G2A (0.58) PLA2G2APLA2G5NOD1MMP8ALDH1A1
SCHEMBL5171168 1.00 PLA2G2A (0.58) PLA2G2APLA2G5NOD1MMP8ALDH1A1
SCHEMBL8674366 1.00 PLA2G2A (0.58) PLA2G2APLA2G5NOD1MMP8ALDH1A1

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-110305030-B Amino acid ester hydrochloride and preparation method and application thereof 昆明理工大学 2021-10-15 CN disclosed