SCHEMBL14438898

SCHEMBL14438898

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

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ THRB P10828 2/20 0.54
▸ TSHR P16473 5/20 0.42
▸ HPGD P15428 1/20 0.42
▸ CHRM1 P11229 6/20 0.42
▸ CHRM3 P20309 6/20 0.42
▸ CHRM4 P08173 5/20 0.42
▸ CHRM2 P08172 5/20 0.42
▸ ALDH1A1 P00352 3/20 0.42
▸ TP53 P04637 2/20 0.42
▸ HIF1A Q16665 2/20 0.42
▸ HSD17B10 Q99714 2/20 0.42
▸ CYP3A4 P08684 1/20 0.42
▸ CYP2D6 P10635 3/20 0.40
▸ CYP1A2 P05177 2/20 0.40
▸ MAPK1 P28482 1/20 0.40
▸ LMNA P02545 1/20 0.40
▸ SMN1; SMN2 Q16637 1/20 0.39
▸ CHRM5 P08912 1/20 0.37
▸ SIGMAR1 Q99720 1/20 0.37
▸ HCAR2 Q8TDS4 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 SCHEMBL19066923 0.98 THRB (0.53) THRBTSHRHPGDCHRM1CHRM3
Bromide SCHEMBL29236904 0.98 THRB (0.53) THRBTSHRHPGDCHRM1CHRM3
Hydrochloric Acid SCHEMBL29848414 0.90 THRB (0.50) THRBTSHRHPGDCHRM1CHRM3
Bromide SCHEMBL30923513 0.88 THRB (0.46) THRBTSHRHPGDCHRM1CHRM3
Hydrochloric Acid SCHEMBL5272116 0.88 THRB (0.46) THRBTSHRHPGDCHRM1CHRM3
SCHEMBL31509674 0.85 THRB (0.58) THRBTSHRHPGDCHRM1CHRM3
SCHEMBL1476296 0.79 THRB (0.51) THRBTSHRHPGDCHRM1CHRM3
SCHEMBL16974394 0.78 POLB (0.43) THRBTSHRCHRM1CHRM3CHRM4
Hydrochloric Acid SCHEMBL19066912 0.78 POLB (0.43) THRBTSHRCHRM1CHRM3CHRM4
Benzophenone SCHEMBL3410520 0.78 THRB (0.54) THRBTSHRHPGDCHRM1CHRM3

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-20070194275-A1 Liquid composition containing no solvent NISSHINBO INDUSTRIES, INC. (JP) 2007-08-23 — — US disclosed
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