SCHEMBL22016149

SCHEMBL22016149

C=CCn1c(=O)n(CC=C)c(=O)n(CC(I)CO)c1=O

nearest known ligand 0.57

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 2/20 0.57
NPSR1 Q6W5P4 1/20 0.42
MAPT P10636 1/20 0.36
KMT2A Q03164 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
ADORA2B P29275 3/20 0.33
ADORA2A P29274 2/20 0.33
CYP1A2 P05177 1/20 0.33
CYP2D6 P10635 1/20 0.33
GAA P10253 1/20 0.31
PLA2G4A P47712 2/20 0.31
LMNA P02545 1/20 0.30
HTT P42858 1/20 0.30
PDE4A P27815 1/20 0.30
PDE4B Q07343 1/20 0.30
PDE4C Q08493 1/20 0.30
PDE4D Q08499 1/20 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
SCHEMBL13286724 0.77 CYP3A4 (0.67) CYP3A4NPSR1MAPTKMT2ASMN1; SMN2
SCHEMBL24495872 0.77 CYP3A4 (0.67) CYP3A4NPSR1MAPTKMT2ASMN1; SMN2
SCHEMBL28662 0.76 CYP3A4 (1.00) CYP3A4NPSR1MAPTKMT2ASMN1; SMN2
SCHEMBL24669059 0.74 CYP3A4 (0.76) CYP3A4NPSR1MAPTKMT2ASMN1; SMN2
SCHEMBL7160182 0.74 CYP3A4 (0.61) CYP3A4NPSR1MAPTKMT2ASMN1; SMN2
SCHEMBL7162162 0.74 CYP3A4 (0.61) CYP3A4NPSR1MAPTKMT2ASMN1; SMN2
1,4-Butanediol SCHEMBL11143138 0.72 CYP3A4 (0.73) CYP3A4NPSR1MAPTKMT2ASMN1; SMN2
SCHEMBL25834882 0.72 CYP3A4 (0.44) CYP3A4NPSR1
SCHEMBL25834890 0.72 CYP3A4 (0.44) CYP3A4NPSR1
SCHEMBL25834886 0.71 CYP3A4 (0.43) CYP3A4NPSR1

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