SCHEMBL28664167

SCHEMBL28664167

CCN(CC)C(C)OC(=O)C(C)C

nearest known ligand 0.33

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PGR P06401 1/20 0.33
ADRA2A P08913 1/20 0.33
ADRA2B P18089 1/20 0.33
HTR2A P28223 1/20 0.33
HRH1 P35367 1/20 0.33
KCNH2 Q12809 1/20 0.33
FDPS P14324 1/20 0.33
CHRNB2 P17787 4/20 0.32
CHRNA4 P43681 4/20 0.32
CHRNB4 P30926 3/20 0.32
CHRNA3 P32297 3/20 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
SCHEMBL4411573 0.79 PGR (0.38) PGRADRA2AADRA2BHTR2AHRH1
SCHEMBL609709 0.79 TSHR (0.46) PGRADRA2AADRA2BHTR2AHRH1
SCHEMBL7861599 0.77 PGR (0.33) PGRADRA2AADRA2BHTR2AHRH1
SCHEMBL11749635 0.77 LMNA (0.42) PGRADRA2AADRA2BHTR2AHRH1
Hydrochloric Acid SCHEMBL28375443 0.77 TSHR (0.44) PGRADRA2AADRA2BHTR2AHRH1
SCHEMBL11856683 0.77 MEN1 (0.35) PGRADRA2AADRA2BHTR2AHRH1
SCHEMBL27212443 0.75 TSHR (0.33) CHRNB2CHRNA4CHRNB4CHRNA3
SCHEMBL11867821 0.74 ALDH1A1 (0.44) PGRADRA2AADRA2BHTR2AHRH1
SCHEMBL358238 0.74 LMNA (0.52)
SCHEMBL5885285 0.73 CHRNB2 (0.39) CHRNB2CHRNA4CHRNB4CHRNA3

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-108461637-B Hybrid for polymer solar cell electron transport layer and preparation method thereof 常州大学 2021-11-30 CN disclosed