SCHEMBL19308262

SCHEMBL19308262

CC(C)C(C)C(=O)N(C)CCO

nearest known ligand 0.42

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 1/20 0.42
CHRNB4 P30926 1/20 0.42
CHRNA3 P32297 1/20 0.42
CHRNA4 P43681 1/20 0.42
MAPT P10636 1/20 0.36
DPP4 P27487 1/20 0.33
TLR9 Q9NR96 1/20 0.32
TLR8 Q9NR97 1/20 0.32
TLR7 Q9NYK1 1/20 0.32
HDAC4 P56524 1/20 0.31
CNR1 P21554 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
SCHEMBL14679290 1.00 CHRNB2 (0.42) CHRNB2CHRNB4CHRNA3CHRNA4MAPT
SCHEMBL5514707 0.82 CHRNB2 (0.42) CHRNB2CHRNB4CHRNA3CHRNA4MAPT
SCHEMBL27415161 0.82 CA12 (0.33) DPP4
SCHEMBL4546666 0.81 CHRNB2 (0.44) CHRNB2CHRNB4CHRNA3CHRNA4MAPT
SCHEMBL26535305 0.79 CHRNB2 (0.43) CHRNB2CHRNB4CHRNA3CHRNA4MAPT
SCHEMBL14679301 0.78 CHRNB2 (0.40) CHRNB2CHRNB4CHRNA3CHRNA4MAPT
SCHEMBL2745900 0.78 DPP4 (0.56) CHRNB2CHRNB4CHRNA3CHRNA4MAPT
SCHEMBL27489698 0.77 CHRNB2 (0.42) CHRNB2CHRNB4CHRNA3CHRNA4MAPT
SCHEMBL34463642 0.77 CHRNB2 (0.42) CHRNB2CHRNB4CHRNA3CHRNA4MAPT
SCHEMBL5513768 0.77 CHRNB2 (0.39) CHRNB2CHRNB4CHRNA3CHRNA4MAPT

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
US-9751880-B2 Electrophotographic photosensitive member, process cartridge, electrophotographic apparatus, and imide compound CANON KABUSHIKI KAISHA (JP) 2017-09-05 US disclosed