SCHEMBL15549253

SCHEMBL15549253

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

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 3/20 0.38
EYA2 O00167 1/20 0.38
APP P05067 1/20 0.38
ACE P12821 1/20 0.38
BLM P54132 2/20 0.37
PMP22 Q01453 2/20 0.37
ALOX15 P16050 2/20 0.37
TSHR P16473 2/20 0.37
CYP2C19 P33261 2/20 0.37
KDM4E B2RXH2 1/20 0.37
LMNA P02545 1/20 0.37
CHRM2 P08172 1/20 0.37
ADRA2A P08913 1/20 0.37
DRD1 P21728 1/20 0.37
SLC6A2 P23975 1/20 0.37
SLC6A4 P31645 1/20 0.37
ADRA1A P35348 1/20 0.37
DRD3 P35462 1/20 0.37
SLC6A3 Q01959 1/20 0.37
HRH3 Q9Y5N1 1/20 0.37

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
SCHEMBL15549873 0.88 FAAH (0.34) LMNACTSLCTSBCTSKMAPT
SCHEMBL16782925 0.82 TDP1 (0.42) TDP1EYA2APPACEBLM
SCHEMBL28253190 0.81 FAAH (0.36) LMNACTSLCTSBCTSKMAPT
Benzene SCHEMBL27990619 0.78 TSHR (0.47) TDP1EYA2APPACEBLM
SCHEMBL19821996 0.78 CTSL (0.37) TSHRLMNACTSLCTSBCTSK
SCHEMBL27734804 0.77 TDP1 (0.34) TDP1EYA2APPACEBLM
SCHEMBL151702 0.75 FAAH (0.40) ACETSHRLMNAMAPTFAAH
SCHEMBL21155584 0.74 CTSL (0.36) CTSLCTSBCTSKMAPTFAAH
Ethylene SCHEMBL4231162 0.74 TDP1 (0.35) TDP1EYA2APPACEBLM
Hydrochloric Acid SCHEMBL10612981 0.74 FAAH (0.39) ACETSHRLMNAMAPTFAAH

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 4 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
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