SCHEMBL28592182

SCHEMBL28592182

C=CC(=O)OCCC[N+](C)(C)C.O=[N+]([O-])[O-]

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 8/20 0.53
ALDH1A1 P00352 3/20 0.53
CYP3A4 P08684 1/20 0.53
HPGD P15428 1/20 0.53
TP53 P04637 2/20 0.44
HIF1A Q16665 2/20 0.44
HSD17B10 Q99714 1/20 0.44
THRB P10828 2/20 0.38
CHRM5 P08912 4/20 0.36
CHRM1 P11229 4/20 0.36
CHRM3 P20309 4/20 0.36
CHRM2 P08172 3/20 0.36
CHRM4 P08173 3/20 0.36
HTR1A P08908 2/20 0.36
CHRNB2 P17787 2/20 0.36
CHRNA7 P36544 2/20 0.36
CHRNA4 P43681 2/20 0.36
ADRA2A P08913 1/20 0.36
ADRA1A P35348 1/20 0.36
PGR P06401 1/20 0.36

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
SCHEMBL1477274 0.91 TSHR (0.63) TSHRALDH1A1CYP3A4HPGDTP53
Hydrochloric Acid SCHEMBL129464 0.90 TSHR (0.61) TSHRALDH1A1CYP3A4HPGDTP53
Iodide SCHEMBL1254266 0.90 TSHR (0.61) TSHRALDH1A1CYP3A4HPGDTP53
Fluoride Ion SCHEMBL1254984 0.90 TSHR (0.61) TSHRALDH1A1CYP3A4HPGDTP53
Water SCHEMBL31228290 0.90 TSHR (0.61) TSHRALDH1A1CYP3A4HPGDTP53
Bromide SCHEMBL1252844 0.90 TSHR (0.61) TSHRALDH1A1CYP3A4HPGDTP53
Acetic Acid SCHEMBL1304593 0.88 TSHR (0.55) TSHRALDH1A1CYP3A4HPGDTP53
Hydrochloric Acid SCHEMBL27418780 0.88 TSHR (0.59) TSHRALDH1A1CYP3A4HPGDTP53
Chloromethane SCHEMBL27843306 0.88 TSHR (0.59) TSHRALDH1A1CYP3A4HPGDTP53
Sulfuric Acid SCHEMBL6476934 0.87 TSHR (0.53) TSHRALDH1A1CYP3A4HPGDTP53

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
CN-107960089-B Composition for coating thermoplastic polymer film, aqueous liquid of the composition, method for producing the aqueous liquid, thermoplastic polymer film, and method for producing thermoplastic polymer film 竹本油脂株式会社 2021-02-19 CN disclosed