SCHEMBL28613495

SCHEMBL28613495

C#CCC(O)C(C)OC(N)=O

nearest known ligand 0.37

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.37
CHRM2 P08172 1/20 0.37
CHRM4 P08173 1/20 0.37
CHRM5 P08912 1/20 0.37
CHRM1 P11229 1/20 0.37
CHRM3 P20309 1/20 0.37
CYP2C9 P11712 1/20 0.37
TSHR P16473 1/20 0.37
MAPT P10636 1/20 0.36
GRIK1 P39086 2/20 0.32
GRIK2 Q13002 2/20 0.32

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
SCHEMBL28613494 1.00 LMNA (0.37) LMNACHRM2CHRM4CHRM5CHRM1
SCHEMBL14689517 0.78
SCHEMBL27328480 0.75 LMNA (0.42) LMNACHRM2CHRM4CHRM5CHRM1
SCHEMBL28630324 0.75 LMNA (0.42) LMNACHRM2CHRM4CHRM5CHRM1
SCHEMBL8928296 0.75 LMNA (0.42) LMNACHRM2CHRM4CHRM5CHRM1
SCHEMBL28630322 0.75 LMNA (0.42) LMNACHRM2CHRM4CHRM5CHRM1
SCHEMBL28620284 0.74 LMNA (0.41) LMNACHRM2CHRM4CHRM5CHRM1
SCHEMBL28620285 0.74 LMNA (0.41) LMNACHRM2CHRM4CHRM5CHRM1
SCHEMBL27978060 0.72 LMNA (0.39) LMNACHRM2CHRM4CHRM5CHRM1
SCHEMBL30487915 0.72 ALDH1A1 (0.41) LMNACHRM2CHRM4CHRM5CHRM1

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-106661084-B Macrocyclic broad spectrum antibiotics 阿奇克斯制药公司 2021-08-31 CN disclosed