SCHEMBL28558488

SCHEMBL28558488

C[N+](C)(C)CCOC(=O)c1ccc(-c2ccccc2)cc1

nearest known ligand 0.58

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
BCHE P06276 1/20 0.58
ACHE P22303 1/20 0.58
KDM4E B2RXH2 1/20 0.55
CHRM2 P08172 2/20 0.54
CHRM4 P08173 2/20 0.54
CHRM1 P11229 2/20 0.54
CHRM3 P20309 2/20 0.54
LMNA P02545 1/20 0.53
TDP1 Q9NUW8 1/20 0.51
SLC1A5 Q15758 1/20 0.51
PDCD1 Q15116 1/20 0.50
CD274 Q9NZQ7 1/20 0.50
SMN1; SMN2 Q16637 3/20 0.47
ESR1 P03372 1/20 0.46
ESR2 Q92731 1/20 0.46
MAPT P10636 2/20 0.46
L3MBTL1 Q9Y468 1/20 0.46

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
SCHEMBL14582344 0.91 TDP1 (0.57) BCHEACHEKDM4ECHRM2CHRM4
SCHEMBL2221655 0.90 LMNA (0.65) BCHEACHECHRM2CHRM4CHRM1
Iodide SCHEMBL2353854 0.88 LMNA (0.62) BCHEACHECHRM2CHRM4CHRM1
Water SCHEMBL16320769 0.88 LMNA (0.62) BCHEACHECHRM2CHRM4CHRM1
Hydrochloric Acid SCHEMBL2356481 0.88 LMNA (0.62) BCHEACHECHRM2CHRM4CHRM1
Bromide SCHEMBL2356769 0.88 LMNA (0.62) BCHEACHECHRM2CHRM4CHRM1
Urea SCHEMBL27927742 0.85 LMNA (0.59) BCHEACHEKDM4ECHRM2CHRM4
SCHEMBL14582386 0.84 TDP1 (0.57) KDM4ELMNATDP1SLC1A5PDCD1
SCHEMBL5144211 0.81 ESR1 (0.66) BCHEACHECHRM1LMNATDP1
SCHEMBL9462 0.81 LMNA (0.79) KDM4ECHRM1LMNATDP1SLC1A5

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-109012750-B Cuprous oxide catalytic system suitable for aqueous phase click reaction and preparation method and application thereof 河南师范大学 2020-12-25 CN disclosed