SCHEMBL19484355

SCHEMBL19484355

C=C(C)C(=O)OCCCC[N+](C)(C)CC(=O)[O-]

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.53
THRB P10828 1/20 0.42
HTT P42858 2/20 0.41
POLB P06746 1/20 0.41
APEX1 P27695 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
BBOX1 O75936 3/20 0.36
RAD52 P43351 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
CHRM5 P08912 2/20 0.34
CHRM1 P11229 2/20 0.34
CHRM3 P20309 2/20 0.34
ALDH1A1 P00352 2/20 0.33
GALR3 O60755 2/20 0.32
SMN1; SMN2 Q16637 2/20 0.32
PGR P06401 1/20 0.32
CHRM2 P08172 1/20 0.32
CHRM4 P08173 1/20 0.32
HTR1A P08908 1/20 0.32
CHRNB2 P17787 1/20 0.32

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
SCHEMBL8013036 0.88 THRB (0.46) TSHRTHRBHTTPOLBAPEX1
Acetic Acid SCHEMBL8642525 0.88 TSHR (0.52) TSHRTHRBHTTPOLBAPEX1
SCHEMBL16798857 0.88 TSHR (0.50) TSHRTHRBHTTPOLBAPEX1
SCHEMBL15693666 0.87 TSHR (0.53) TSHRTHRBHTTPOLBAPEX1
SCHEMBL16798908 0.86 TSHR (0.53) TSHRTHRBHTTPOLBAPEX1
SCHEMBL16799408 0.86 TSHR (0.53) TSHRTHRBHTTPOLBAPEX1
SCHEMBL16798940 0.86 TSHR (0.53) TSHRTHRBHTTPOLBAPEX1
SCHEMBL16799082 0.86 TSHR (0.53) TSHRTHRBHTTPOLBAPEX1
SCHEMBL15694888 0.84 TSHR (0.50) TSHRTHRBHTTPOLBAPEX1
SCHEMBL16798956 0.84 TSHR (0.46) TSHRTHRBHTTPOLBAPEX1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9797886-B2 Agglutination enhancer WAKO PURE CHEMICAL INDUSTRIES, LTD. (JP) 2017-10-24 US disclosed