SCHEMBL15548847

SCHEMBL15548847

CC(C)(C)OC(=O)CN(CO)CC(=O)OC(C)(C)C

nearest known ligand 0.36

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
NR1D1 P20393 5/20 0.36
NR1H3 Q13133 1/20 0.35
TDP1 Q9NUW8 1/20 0.34
DGAT1 O75907 1/20 0.33
CYP2D6 P10635 1/20 0.33
HDAC6 Q9UBN7 3/20 0.33
HDAC1 Q13547 2/20 0.33
HDAC2 Q92769 2/20 0.33
HDAC3 O15379 1/20 0.33
HDAC8 Q9BY41 1/20 0.33
CA12 O43570 2/20 0.32
CA14 Q9ULX7 2/20 0.32
CA1 P00915 1/20 0.32
CA7 P43166 1/20 0.32
CA2 P00918 1/20 0.32
GSTO1 P78417 1/20 0.31
NR1H2 P55055 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
SCHEMBL27420033 0.95 NR1D1 (0.38) NR1D1NR1H3TDP1DGAT1CYP2D6
SCHEMBL18145576 0.86 TDP1 (0.42) NR1D1NR1H3TDP1DGAT1CYP2D6
SCHEMBL419703 0.86 TDP1 (0.42) NR1D1NR1H3TDP1DGAT1CYP2D6
SCHEMBL14729341 0.86 CA12 (0.41) NR1D1NR1H3DGAT1CYP2D6CA12
SCHEMBL13965219 0.86 CA12 (0.41) NR1D1NR1H3DGAT1CYP2D6CA12
SCHEMBL3031948 0.85 ALOX15 (0.41) NR1D1NR1H3TDP1DGAT1CYP2D6
SCHEMBL1758843 0.85 ALOX15 (0.41) NR1D1NR1H3TDP1DGAT1CYP2D6
SCHEMBL1433039 0.84 OPRK1 (0.38) NR1D1NR1H3DGAT1CYP2D6HDAC6
SCHEMBL19458 0.84 TDP1 (0.42) NR1D1NR1H3TDP1DGAT1CYP2D6
SCHEMBL18362421 0.83 CA12 (0.48) NR1D1NR1H3CA12CA1CA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10364262-B2 Method for the synthesis of N-phosphonomethyliminodiacetic acid MONSANTO TECHNOLOGY LLC (US) 2019-07-30 US disclosed
CN-104854117-A Process for the synthesis of N-phosphonomethyliminodiacetic acid STRAITMARK HOLDING AG 2015-08-19 CN disclosed
US-20150166584-A1 METHOD FOR THE SYNTHESIS OF N-PHOSPHONOMETHYLIMINODIACETIC ACID MONSANTO TECHNOLOGY LLC 2015-06-18 US disclosed
EP-2875038-A1 METHOD FOR THE SYNTHESIS OF N-PHOSPHONOMETHYLIMINODIACETIC ACID Straitmark Holding AG (CH) 2015-05-27 EP disclosed
WO-2014012986-A1 METHOD FOR THE SYNTHESIS OF N-PHOSPHONOMETHYLIMINODIACETIC ACID STRAITMARK HOLDING AG (CH) 2014-01-23 WO disclosed