SCHEMBL12377856

SCHEMBL12377856

C=C(O)CN(CP(=O)(O)O)C(C)=O

nearest known ligand 0.33

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MMP1 P03956 1/20 0.30
MMP2 P08253 1/20 0.30
MMP3 P08254 1/20 0.30
MMP8 P22894 1/20 0.30
MEN1 O00255 1/20 0.30
LMNA P02545 1/20 0.30
HPGD P15428 1/20 0.30
TSHR P16473 1/20 0.30
BLM P54132 1/20 0.30
KMT2A Q03164 1/20 0.30
TDP1 Q9NUW8 1/20 0.30
PGK1 P00558 1/20 0.30
PGK2 P07205 1/20 0.30

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
SCHEMBL249304 0.83 TDP1 (0.37) MMP1MMP2MMP3MMP8MEN1
SCHEMBL11306509 0.80 MMP2 (0.39) MMP1MMP2MMP3MMP8MEN1
SCHEMBL4750605 0.73 MEN1 (0.32) MEN1LMNAHPGDTSHRBLM
SCHEMBL24138311 0.72 PGK1 (0.33) MMP1MMP2MMP3MMP8TDP1
SCHEMBL11497460 0.72 PGK1 (0.36) MMP2MEN1LMNAHPGDTSHR
Glyphosate SCHEMBL4395088 0.71
SCHEMBL13387533 0.69
SCHEMBL9572420 0.69 TDP1 (0.41) MEN1LMNAHPGDTSHRBLM
SCHEMBL8156617 0.67 TDP1 (0.42) MMP1MMP2MMP3MMP8MEN1
SCHEMBL6794530 0.66 TDP1 (0.40) MMP1MMP2MMP3MMP8MEN1

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
US-8003398-B2 Determining the presence or amount of glyphosate, N-acetylglyphosate, N-acetyl AMPA or aminomethyl phosphoric acid (AMPA) E.I. DE PONT DE NEMOURS AND COMPANY (US) 2011-08-23 US disclosed
US-20080280370-A1 METHODS AND COMPOSITIONS FOR DETECTING GLYPHOSATE AND METABOLITES THEREOF E.I. DU PONT DE NEMOURS AND COMPANY (US) 2008-11-13 US disclosed