SCHEMBL9449227

SCHEMBL9449227

O=C([O-])CN(CCO)CCN(CC(=O)[O-])CC(=O)[O-].[Fe+3]

nearest known ligand 0.91

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 3/20 0.91
KDM4E B2RXH2 2/20 0.91
MAPT P10636 1/20 0.91
SMN1; SMN2 Q16637 1/20 0.91
TDP1 Q9NUW8 2/20 0.44
LMNA P02545 2/20 0.44
TSHR P16473 2/20 0.44
CYP2C19 P33261 2/20 0.44
CHRM2 P08172 1/20 0.44
ADRA2A P08913 1/20 0.44
DRD1 P21728 1/20 0.44
SLC6A2 P23975 1/20 0.44
SLC6A4 P31645 1/20 0.44
ADRA1A P35348 1/20 0.44
DRD3 P35462 1/20 0.44
BLM P54132 1/20 0.44
PMP22 Q01453 1/20 0.44
SLC6A3 Q01959 1/20 0.44
HRH3 Q9Y5N1 1/20 0.44
EYA2 O00167 1/20 0.40

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
Potassium Ion SCHEMBL2322535 0.95 ALOX15 (0.91) ALOX15KDM4EMAPTSMN1; SMN2TDP1
SCHEMBL379765 0.95 ALOX15 (1.00) ALOX15KDM4EMAPTSMN1; SMN2TDP1
SCHEMBL9117033 0.95 ALOX15 (0.82) ALOX15KDM4EMAPTSMN1; SMN2TDP1
Water SCHEMBL10767426 0.93 KDM4E (0.95) ALOX15KDM4EMAPTSMN1; SMN2TDP1
Water SCHEMBL9900448 0.93 KDM4E (0.95) ALOX15KDM4EMAPTSMN1; SMN2TDP1
Ammonia Solution, Strong SCHEMBL7858871 0.93 ALOX15 (0.78) ALOX15KDM4EMAPTSMN1; SMN2TDP1
SCHEMBL31349875 0.93 KDM4E (0.95) ALOX15KDM4EMAPTSMN1; SMN2TDP1
SCHEMBL11835034 0.92 KDM4E (0.77) ALOX15KDM4EMAPTSMN1; SMN2TDP1
SCHEMBL786772 0.90 ALOX15 (0.82) ALOX15KDM4EMAPTSMN1; SMN2TDP1
SCHEMBL3986270 0.90 ALOX15 (0.82) ALOX15KDM4EMAPTSMN1; SMN2TDP1

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-9771306-B2 Environmentally-friendly high potassium-content liquid fertilizer and uses for the fertilizer Nachurs Alpine Solutions, Corp. (US) 2017-09-26 US claimed
US-5264348-A Ascorbate interference-resistant composition, device and method of assaying for predetermined analyte MILES INC. (US) 1993-11-23 US claimed
US-5089420-A With an indicator dye, a hydroperoxide and a buffer; especially useful for assaying accult blood MILES INC. (US) 1992-02-18 US claimed
US-9771306-B2 Environmentally-friendly high potassium-content liquid fertilizer and uses for the fertilizer Nachurs Alpine Solutions, Corp. (US) 2017-09-26 US disclosed