SCHEMBL16782927

SCHEMBL16782927

CC(C)COC(=O)CN(CO)CC(=O)OCC(C)C

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 4/20 0.42
▸ ALDH1A1 P00352 1/20 0.38
▸ TDP1 Q9NUW8 1/20 0.38
▸ L3MBTL1 Q9Y468 1/20 0.38
▸ CA12 O43570 2/20 0.34
▸ CA1 P00915 2/20 0.34
▸ CA2 P00918 2/20 0.34
▸ CA9 Q16790 2/20 0.34
▸ PRKCA P17252 2/20 0.34
▸ PPARG P37231 1/20 0.33
▸ NCOA2 Q15596 1/20 0.33
▸ NCOA1 Q15788 1/20 0.33
▸ NPSR1 Q6W5P4 1/20 0.33
▸ NCOA3 Q9Y6Q9 1/20 0.33
▸ POLB P06746 1/20 0.33
▸ GAA P10253 1/20 0.33
▸ SMN1; SMN2 Q16637 1/20 0.33
▸ MAPT P10636 1/20 0.32
▸ KDM4E B2RXH2 1/20 0.31
▸ HPGD P15428 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
SCHEMBL16782926 0.88 CA1 (0.40) TSHRALDH1A1TDP1L3MBTL1CA1
SCHEMBL28225850 0.85 TSHR (0.41) TSHRALDH1A1TDP1L3MBTL1CA12
SCHEMBL29587773 0.82 TSHR (0.38) TSHRALDH1A1TDP1L3MBTL1CA12
SCHEMBL19594830 0.80 TSHR (0.43) TSHRALDH1A1TDP1L3MBTL1CA12
SCHEMBL21652470 0.79 TSHR (0.54) TSHRTDP1CA1CA2KDM4E
SCHEMBL28214913 0.79 MAPT (0.42) TSHRALDH1A1TDP1CA12CA1
SCHEMBL26778457 0.78 TSHR (0.42) TSHRALDH1A1TDP1L3MBTL1PPARG
SCHEMBL29163463 0.77 MAPT (0.45) TSHRALDH1A1TDP1PRKCAMAPT
SCHEMBL23065597 0.77 TSHR (0.41) TSHRALDH1A1TDP1L3MBTL1CA12
SCHEMBL21031587 0.77 TSHR (0.45) TSHRALDH1A1TDP1L3MBTL1PPARG

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
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
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