SCHEMBL9753955

SCHEMBL9753955

C[N+](C)(C)CCOC(=O)c1ccccc1C(=O)OCC[N+](C)(C)C

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.63
TSHR P16473 7/20 0.61
TDP1 Q9NUW8 3/20 0.59
L3MBTL1 Q9Y468 2/20 0.59
CYP3A4 P08684 2/20 0.58
MAPK1 P28482 2/20 0.58
TP53 P04637 1/20 0.58
CHRM1 P11229 4/20 0.57
CHRM3 P20309 4/20 0.57
CHRM2 P08172 3/20 0.57
CHRM4 P08173 3/20 0.57
LMNA P02545 1/20 0.56
ACHE P22303 2/20 0.50
CHRM5 P08912 2/20 0.50
ADRA2A P08913 1/20 0.50
ADRA1A P35348 1/20 0.50
PGR P06401 1/20 0.50
HTR1A P08908 1/20 0.50
CHRNB2 P17787 1/20 0.50
TBXA2R P21731 1/20 0.50

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
SCHEMBL9753956 0.93 ALDH1A1 (0.56) ALDH1A1TSHRTDP1L3MBTL1CYP3A4
SCHEMBL3961 0.90 TDP1 (0.67) ALDH1A1TSHRTDP1L3MBTL1CYP3A4
SCHEMBL4624137 0.90 ALDH1A1 (0.51) ALDH1A1TSHRTDP1L3MBTL1CYP3A4
SCHEMBL29521789 0.90 TDP1 (0.67) ALDH1A1TSHRTDP1L3MBTL1CYP3A4
Hydrogen Sulfide SCHEMBL9879814 0.88 TDP1 (0.65) ALDH1A1TSHRTDP1L3MBTL1CYP3A4
SCHEMBL3469 0.88 TDP1 (0.65) ALDH1A1TSHRTDP1L3MBTL1CYP3A4
Hydrogen Sulfide SCHEMBL9879738 0.88 TDP1 (0.65) ALDH1A1TSHRTDP1L3MBTL1CYP3A4
Hydrochloric Acid SCHEMBL11338827 0.88 CHRM1 (0.50) ALDH1A1TSHRTDP1L3MBTL1CYP3A4
SCHEMBL9879423 0.88 TDP1 (0.65) ALDH1A1TSHRTDP1L3MBTL1CYP3A4
Hydrogen Sulfide SCHEMBL9879813 0.88 TDP1 (0.65) ALDH1A1TSHRTDP1L3MBTL1CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-3187210-A None JP disclosed
JP-H03187210-A ELECTROLYTIS SOLUTION FOR DRIVING ELECTROLYTIC CAPACITOR MARCON ELECTRON CO LTD 1991-08-15 JP disclosed