SCHEMBL8374459

SCHEMBL8374459

COC(=O)C(C)N(C)CCO

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 4/20 0.40
CHRNA4 P43681 4/20 0.40
CHRNB4 P30926 3/20 0.40
CHRNA3 P32297 3/20 0.40
SMN1; SMN2 Q16637 4/20 0.35
ALDH1A1 P00352 2/20 0.34
TSHR P16473 2/20 0.34
MAPK1 P28482 1/20 0.34
CASP7 P55210 1/20 0.34
KMT2A Q03164 5/20 0.33
MEN1 O00255 4/20 0.33
CA14 Q9ULX7 2/20 0.33
MAPT P10636 1/20 0.33
PLA2G1B P04054 1/20 0.33
HTT P42858 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
ATG4B Q9Y4P1 1/20 0.33
CA12 O43570 1/20 0.31
THRB P10828 1/20 0.31
CYP2C9 P11712 1/20 0.31

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
SCHEMBL8373524 0.81 CHRNB2 (0.37) CHRNB2CHRNA4CHRNB4CHRNA3SMN1; SMN2
SCHEMBL28033377 0.81 CHRNB2 (0.37) CHRNB2CHRNA4CHRNB4CHRNA3SMN1; SMN2
SCHEMBL4352079 0.81 CHRNB2 (0.37) CHRNB2CHRNA4CHRNB4CHRNA3SMN1; SMN2
SCHEMBL13165157 0.80 CA1 (0.44) SMN1; SMN2ALDH1A1MAPK1MAPTCA12
SCHEMBL5393964 0.79 ZDHHC7 (0.44) MAPK1KMT2AMEN1MAPT
SCHEMBL5393967 0.79 ZDHHC7 (0.44) MAPK1KMT2AMEN1MAPT
SCHEMBL14666001 0.77 SMN1; SMN2 (0.37) CHRNB2CHRNA4CHRNB4CHRNA3SMN1; SMN2
SCHEMBL14665785 0.77 SMN1; SMN2 (0.37) CHRNB2CHRNA4CHRNB4CHRNA3SMN1; SMN2
SCHEMBL14665783 0.77 SMN1; SMN2 (0.37) CHRNB2CHRNA4CHRNB4CHRNA3SMN1; SMN2
SCHEMBL8374163 0.76 CA1 (0.36) CHRNB2CHRNA4CHRNB4CHRNA3SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0643128-B1 Aqueous fabric softener composition, novel quaternary ammonium salt, and process for the preparation of said salt KAO CORP (JP) 1999-03-10 EP disclosed
US-5580481-A Aqueous fabric softener composition, novel quaternary ammonium salt, and process for the preparation of said salt KAO CORPORATION (JP) 1996-12-03 US disclosed
US-5476597-A Storage stability, elasticity KAO CORPORATION (JP) 1995-12-19 US disclosed
EP-0643128-A1 Aqueous fabric softener composition, novel quaternary ammonium salt, and process for the preparation of said salt Kao Corporation (JP) 1995-03-15 EP disclosed