SCHEMBL28033038

SCHEMBL28033038

C=CC(=O)OCC[N+](C)(C)C(C)c1ccccc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ THRB P10828 2/20 0.49
▸ CHRM1 P11229 5/20 0.48
▸ CHRM3 P20309 5/20 0.48
▸ CHRM4 P08173 4/20 0.48
▸ CHRM2 P08172 4/20 0.48
▸ CHRM5 P08912 1/20 0.42
▸ CYP2D6 P10635 1/20 0.42
▸ SIGMAR1 Q99720 1/20 0.42
▸ TSHR P16473 6/20 0.39
▸ HPGD P15428 1/20 0.38
▸ ALDH1A1 P00352 4/20 0.38
▸ TP53 P04637 2/20 0.38
▸ HIF1A Q16665 2/20 0.38
▸ CYP3A4 P08684 1/20 0.38
▸ HSD17B10 Q99714 1/20 0.38
▸ HCAR2 Q8TDS4 1/20 0.36
▸ SCN1A P35498 2/20 0.36
▸ SCN2A Q99250 2/20 0.36
▸ SCN3A Q9NY46 2/20 0.36
▸ CYP2C19 P33261 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
Hydrochloric Acid SCHEMBL28000634 0.99 THRB (0.48) THRBCHRM1CHRM3CHRM4CHRM2
SCHEMBL28290653 0.92 THRB (0.47) THRBCHRM1CHRM3CHRM4CHRM2
SCHEMBL7777033 0.82 CHRM1 (0.47) THRBCHRM1CHRM3CHRM4CHRM2
Bromide SCHEMBL7770811 0.81 CHRM1 (0.48) THRBCHRM1CHRM3CHRM4CHRM2
SCHEMBL14438898 0.77 THRB (0.54) THRBCHRM1CHRM3CHRM4CHRM2
SCHEMBL5070208 0.77 THRB (0.54) THRBCHRM1CHRM3CHRM4CHRM2
Hydrochloric Acid SCHEMBL5183574 0.76 CHRM1 (0.53) THRBCHRM1CHRM3CHRM4CHRM2
SCHEMBL9066024 0.76 TSHR (0.46) THRBCHRM1CHRM3CHRM4CHRM2
SCHEMBL24709495 0.76 THRB (0.60) THRBCHRM1CHRM3CHRM4CHRM2
Hydrochloric Acid SCHEMBL28613326 0.76 TSHR (0.48) THRBCHRM1CHRM3CHRM4CHRM2

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-110320750-A Coloured composition, coloring cured film and its application, pigment polymer JSR株式会社 2019-10-11 — — CN disclosed
CN-108572515-A Coloured composition, coloring cured film, colored filter, display element, light receiving element, light-emitting component and pigment compound JSR株式会社 2018-09-25 — — CN disclosed
CN-105828883-A Method for treating keratin fibres using a packaging article comprising an envelope and an anhydrous composition comprising an oxidizing agent 莱雅公司 2016-08-03 — — CN disclosed
CN-105828882-A Packaging article comprising an envelope and an anhydrous dye composition comprising a direct dye, use thereof and process for dyeing keratin fibres 莱雅公司 2016-08-03 — — CN disclosed
CN-105828884-A Packaging article comprising an envelope and an anhydrous dye composition comprising an oxidation dye, use of the same and process for dyeing keratin fibres 莱雅公司 2016-08-03 — — CN disclosed
CN-105045040-A Colorant, curable composition, cured film, display device and solid state imaging device Jsr 2015-11-11 — — CN disclosed
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