SCHEMBL28294700

SCHEMBL28294700

C=C(C)C(=O)NCCCOC(N)=O

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ACHE P22303 7/20 0.39
LMNA P02545 2/20 0.39
TSHR P16473 5/20 0.37
CHRM2 P08172 2/20 0.37
CHRM4 P08173 2/20 0.37
CHRM5 P08912 2/20 0.37
CHRM1 P11229 2/20 0.37
CHRM3 P20309 2/20 0.37
HTR1A P08908 1/20 0.37
CHRNB2 P17787 1/20 0.37
CYP2C19 P33261 1/20 0.37
CHRNA7 P36544 1/20 0.37
CHRNA4 P43681 1/20 0.37
ALDH1A1 P00352 1/20 0.37
ALOX15 P16050 1/20 0.34
THRB P10828 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
SCHEMBL21122833 0.95 ACHE (0.40) ACHELMNATSHRCHRM2CHRM4
SCHEMBL29262263 0.89 TSHR (0.39) ACHELMNATSHRCHRM2CHRM4
SCHEMBL10388828 0.85 ACHE (0.41) ACHETSHRALDH1A1THRB
SCHEMBL9421249 0.84 TSHR (0.55) ACHETSHRALDH1A1THRB
SCHEMBL24496157 0.81 ALDH1A1 (0.41) ACHETSHRALDH1A1THRB
SCHEMBL16803336 0.80 TSHR (0.50) ACHETSHRTHRB
SCHEMBL2612360 0.80 ALDH1A1 (0.45) ACHETSHRALDH1A1
SCHEMBL141759 0.79 TSHR (0.55) LMNATSHRALDH1A1
SCHEMBL5528349 0.79 THRB (0.41) ACHETSHRALDH1A1THRB
SCHEMBL8949910 0.79 THRB (0.41) ACHETSHRALDH1A1THRB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-109880021-A Polymer and preparation method thereof, ROS response type siRNA nano-micelle and its application 河南大学 2019-06-14 CN claimed
CN-109880021-B Polymer and preparation method thereof, ROS response type siRNA nano micelle and application thereof 河南大学 2020-03-27 CN disclosed
CN-109880021-A Polymer and preparation method thereof, ROS response type siRNA nano-micelle and its application 河南大学 2019-06-14 CN disclosed