SCHEMBL28645651

SCHEMBL28645651

NC(=O)OC=CC(=O)OCCOC(N)=O

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 5/20 0.38
CHRNB2 P17787 2/20 0.38
CHRNA4 P43681 2/20 0.38
CHRM2 P08172 2/20 0.38
CHRM4 P08173 2/20 0.38
CHRM5 P08912 2/20 0.38
CHRM1 P11229 2/20 0.38
CHRM3 P20309 2/20 0.38
LMNA P02545 2/20 0.38
HTR1A P08908 1/20 0.38
CYP2C19 P33261 1/20 0.38
CHRNA7 P36544 1/20 0.38
ATM Q13315 1/20 0.38
CHRNB4 P30926 1/20 0.37
CHRNA3 P32297 1/20 0.37
MAPT P10636 2/20 0.36
RAB9A P51151 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
HCAR2 Q8TDS4 5/20 0.35
ALOX15 P16050 1/20 0.34

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
SCHEMBL28634410 0.92 ATM (0.44) TSHRCHRNB2CHRNA4CHRM2CHRM4
SCHEMBL28633889 0.83 ALOX15 (0.34) MAPTALOX15CACNA1BAPBA1
SCHEMBL26101345 0.77 TSHR (0.43) TSHRCHRNB2CHRNA4CHRM2CHRM4
SCHEMBL27419567 0.75 HCAR2 (0.54) TSHRCHRNB2CHRNA4CHRM2CHRM4
SCHEMBL2547540 0.74 LMNA (0.57) TSHRCHRNB2CHRNA4CHRM2CHRM4
SCHEMBL28941942 0.72 TSHR (0.45) TSHRCHRNB2CHRNA4CHRM2CHRM4
SCHEMBL21977964 0.71 NFE2L2 (0.55) CYP2C19MAPTHCAR2ALOX15ALDH1A1
SCHEMBL4198066 0.71 TSHR (0.67) TSHRCHRNB2CHRNA4CHRM2CHRM4
SCHEMBL30525718 0.71 LMNA (0.62) TSHRCHRNB2CHRNA4CHRM2CHRM4
SCHEMBL27876632 0.70 ATM (0.50) TSHRATMMAPTRAB9ANPSR1

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-108472411-B High impact toughness transparent prosthetic materials with low residual MMA content 古莎有限公司 2021-10-01 CN disclosed