SCHEMBL28149702

SCHEMBL28149702

O=C(OC(C(=O)O)C(OC(=O)c1ccccc1)C(=O)O)c1ccccc1.[Eu]

nearest known ligand 0.96

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.96
TP53 P04637 1/20 0.96
CYP2D6 P10635 2/20 0.63
RECQL P46063 1/20 0.59
LMNA P02545 2/20 0.54
F2 P00734 1/20 0.54
PDCD1 Q15116 1/20 0.48
CD274 Q9NZQ7 1/20 0.48
ESR1 P03372 1/20 0.47
ESR2 Q92731 1/20 0.47
ALDH1A1 P00352 3/20 0.47
NPC1 O15118 2/20 0.46
RAB9A P51151 2/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
HTT P42858 1/20 0.46
TDP1 Q9NUW8 2/20 0.45
SLC6A3 Q01959 2/20 0.45
SLC6A4 P31645 1/20 0.45
CA12 O43570 1/20 0.44
CA1 P00915 1/20 0.44

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
SCHEMBL11886503 0.98 TSHR (1.00) TSHRTP53CYP2D6RECQLLMNA
SCHEMBL7685 0.98 TSHR (1.00) TSHRTP53CYP2D6RECQLLMNA
SCHEMBL670257 0.98 TSHR (1.00) TSHRTP53CYP2D6RECQLLMNA
SCHEMBL223030 0.98 TSHR (1.00) TSHRTP53CYP2D6RECQLLMNA
SCHEMBL221678 0.98 TSHR (1.00) TSHRTP53CYP2D6RECQLLMNA
SCHEMBL14117921 0.98 TSHR (1.00) TSHRTP53CYP2D6RECQLLMNA
Ammonia Solution, Strong SCHEMBL11444695 0.96 TSHR (0.96) TSHRTP53CYP2D6RECQLLMNA
Water SCHEMBL312080 0.96 TSHR (0.96) TSHRTP53CYP2D6RECQLLMNA
Water SCHEMBL365251 0.96 TSHR (0.96) TSHRTP53CYP2D6RECQLLMNA
SCHEMBL28150719 0.96 TSHR (0.96) TSHRTP53CYP2D6RECQLLMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-106950207-A The method for detecting Manganese in Drinking Water ion 黑龙江大学 2017-07-14 CN claimed
CN-106908440-A The method for detecting silver in drinking water ion 黑龙江大学 2017-06-30 CN claimed
CN-106950207-B The method for detecting Manganese in Drinking Water ion 黑龙江大学 2019-05-21 CN disclosed
CN-106908440-B The method for detecting silver in drinking water ion 黑龙江大学 2019-05-21 CN disclosed
CN-106950207-A The method for detecting Manganese in Drinking Water ion 黑龙江大学 2017-07-14 CN disclosed
CN-106908440-A The method for detecting silver in drinking water ion 黑龙江大学 2017-06-30 CN disclosed