SCHEMBL26919239

SCHEMBL26919239

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

nearest known ligand 0.45

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 3/20 0.45
▸ THRB P10828 1/20 0.42
▸ CHRM5 P08912 1/20 0.32
▸ CHRM1 P11229 1/20 0.32
▸ CHRM3 P20309 1/20 0.32
▸ ALDH1A1 P00352 1/20 0.31
▸ POLB P06746 1/20 0.31
▸ APEX1 P27695 1/20 0.31
▸ HTT P42858 1/20 0.31
▸ TDP1 Q9NUW8 1/20 0.31
▸ ACHE P22303 4/20 0.31

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
SCHEMBL26918852 0.84 CHRM5 (0.44) TSHRCHRM5CHRM1CHRM3ALDH1A1
SCHEMBL26918931 0.81 CHRM1 (0.33) CHRM5CHRM1CHRM3ACHE
SCHEMBL26918837 0.80 NAAA (0.41) TSHRCHRM5CHRM1CHRM3ACHE
SCHEMBL26919224 0.79 TSHR (0.47) TSHRTHRBALDH1A1
SCHEMBL26918891 0.79 ADRA2A (0.42) TSHRCHRM5CHRM1CHRM3ALDH1A1
SCHEMBL26918936 0.78 SCN1A (0.32) CHRM1CHRM3POLBACHE
SCHEMBL26919312 0.77 — —
SCHEMBL26918906 0.77 DGKA (0.45) TSHRALDH1A1TDP1ACHE
SCHEMBL26919276 0.75 ATM (0.38) —
SCHEMBL26919328 0.75 ACHE (0.30) ACHE

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-11839700-B2 Bio-electrode composition, bio-electrode, and method for manufacturing a bio-electrode SHIN-ETSU CHEMICAL CO., LTD. (JP) 2023-12-12 — — US disclosed
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