SCHEMBL5363512

SCHEMBL5363512

C=CCP(=O)(CC=C)CNCC(=O)O

nearest known ligand 0.52

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ABCC4 O15439 1/20 0.36
MAPT P10636 1/20 0.36
SLC6A2 P23975 1/20 0.31
SLC6A4 P31645 1/20 0.31
BLM P54132 1/20 0.31
SLC6A3 Q01959 1/20 0.31
MEN1 O00255 1/20 0.31
CYP2D6 P10635 1/20 0.31
TSHR P16473 1/20 0.31
NFKB1 P19838 1/20 0.31
CYP2C19 P33261 1/20 0.31
KMT2A Q03164 1/20 0.31

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
Glyphosate SCHEMBL27686819 0.73 ABCC4 (0.34) ABCC4MAPTBLMMEN1TSHR
SCHEMBL8844699 0.72 MAPT (0.40) ABCC4MAPTSLC6A2SLC6A4BLM
SCHEMBL11345383 0.72 ABCC4 (0.33) ABCC4MAPT
SCHEMBL3478449 0.72 LMNA (0.42) ABCC4MAPTBLMMEN1TSHR
SCHEMBL10326078 0.71 ABCC4 (0.32) ABCC4MAPT
Glyphosate SCHEMBL30579951 0.69 LMNA (0.43) BLMMEN1TSHRKMT2A
Glyphosate SCHEMBL29694166 0.69 LMNA (0.43) BLMMEN1TSHRKMT2A
Glyphosate SCHEMBL16440 0.69 LMNA (0.43) BLMMEN1TSHRKMT2A
Glyphosate SCHEMBL214438 0.69 LMNA (0.43) BLMMEN1TSHRKMT2A
Glyphosate SCHEMBL30579950 0.69 LMNA (0.43) BLMMEN1TSHRKMT2A

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-3937445-B2 2007-06-27 JP claimed
EP-0701622-A1 PROCESS FOR PREPARING GLYOXYLIC ACID/DIALKYL AMINOMETHYLPHOSPHONATE MIXTURES E.I. DU PONT DE NEMOURS AND COMPANY (US) 1996-03-20 EP claimed
WO-1994028155-A1 PROCESS FOR PREPARING GLYOXYLIC ACID/DIALKYL AMINOMETHYLPHOSPHONATE MIXTURES E.I. DU PONT DE NEMOURS AND COMPANY (US) 1994-12-08 WO claimed