SCHEMBL22016446

SCHEMBL22016446

C=CCCn1c(=O)n(CCC=C)c(=O)n(CCC(I)CO)c1=O

nearest known ligand 0.35

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 1/20 0.35
PDE4A P27815 2/20 0.33
ADORA2A P29274 2/20 0.33
ADORA2B P29275 2/20 0.33
PDE4B Q07343 2/20 0.33
PDE4C Q08493 2/20 0.33
PDE4D Q08499 2/20 0.33
NPSR1 Q6W5P4 1/20 0.33
CNR2 P34972 2/20 0.30

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
SCHEMBL22016447 0.85 CYP3A4 (0.36) CYP3A4PDE4AADORA2AADORA2BPDE4B
SCHEMBL22017450 0.80 FAAH (0.37) CYP3A4PDE4AADORA2AADORA2BPDE4B
SCHEMBL11001667 0.78 CYP3A4 (0.55) CYP3A4PDE4AADORA2AADORA2BPDE4B
SCHEMBL17539235 0.73 CYP3A4 (0.44) CYP3A4PDE4AADORA2AADORA2BPDE4B
SCHEMBL22017448 0.73 PDE4A (0.36) CYP3A4PDE4AADORA2AADORA2BPDE4B
SCHEMBL7923959 0.71
SCHEMBL16046188 0.70 CYP3A4 (0.46) CYP3A4PDE4AADORA2AADORA2BPDE4B
SCHEMBL19155603 0.70 CYP3A4 (0.46) CYP3A4PDE4AADORA2AADORA2BPDE4B
SCHEMBL17059130 0.70 CYP3A4 (0.46) CYP3A4PDE4AADORA2AADORA2BPDE4B
SCHEMBL22016149 0.69 CYP3A4 (0.57) CYP3A4PDE4AADORA2AADORA2BPDE4B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11542407-B2 Fluorinated ether compound, fluorinated ether composition, coating liquid, article and its production method AGC Inc. (JP) 2023-01-03 US disclosed
US-20200157376-A1 FLUORINATED ETHER COMPOUND, FLUORINATED ETHER COMPOSITION, COATING LIQUID, ARTICLE AND ITS PRODUCTION METHOD AGC Inc. (JP) 2020-05-21 US disclosed