SCHEMBL29099346

SCHEMBL29099346

CC(C)C[C@@H](C=NO)OC(N)=O

nearest known ligand 0.36

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.36
CHRM2 P08172 1/20 0.36
CHRM4 P08173 1/20 0.36
CHRM5 P08912 1/20 0.36
CHRM1 P11229 1/20 0.36
CHRM3 P20309 1/20 0.36
CYP2C9 P11712 1/20 0.36
TSHR P16473 1/20 0.36
MAPT P10636 1/20 0.35
CACNA2D1 P54289 2/20 0.32
CACNB3 P54284 1/20 0.32
CACNA1C Q13936 1/20 0.32
PGR P06401 1/20 0.32
ADRA1A P35348 1/20 0.32
HTR2B P41595 1/20 0.32
CACNA2D2 Q9NY47 1/20 0.32
SLC7A5 Q01650 1/20 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
SCHEMBL29099347 1.00 LMNA (0.36) LMNACHRM2CHRM4CHRM5CHRM1
SCHEMBL28896737 0.79 LMNA (0.39) LMNACHRM2CHRM4CHRM5CHRM1
SCHEMBL28896738 0.79 LMNA (0.39) LMNACHRM2CHRM4CHRM5CHRM1
SCHEMBL29099363 0.78 LMNA (0.32) LMNACHRM2CHRM4CHRM5CHRM1
SCHEMBL29099331 0.78 LMNA (0.32) LMNACHRM2CHRM4CHRM5CHRM1
SCHEMBL29099330 0.78 LMNA (0.32) LMNACHRM2CHRM4CHRM5CHRM1
SCHEMBL29099332 0.74
SCHEMBL29099333 0.74
SCHEMBL25401500 0.71 LMNA (0.35) LMNACHRM2CHRM4CHRM5CHRM1
SCHEMBL25401496 0.71 LMNA (0.35) 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-116568310-A Boric acid compounds 株式会社LG化学 2023-08-08 CN disclosed