SCHEMBL11288876

SCHEMBL11288876

CC(=O)/C=C/CC(C)S(C)(=O)=O

nearest known ligand 0.35

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 2/20 0.35
CHRNB4 P30926 2/20 0.35
CHRNA3 P32297 2/20 0.35
CHRNA4 P43681 2/20 0.35

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
SCHEMBL11288878 1.00 CHRNB2 (0.35) CHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL9689856 0.82 CHRNB2 (0.34) CHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL9689863 0.82 CHRNB2 (0.34) CHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL160033 0.75
SCHEMBL15080406 0.75
SCHEMBL1734717 0.75
SCHEMBL16940584 0.73
SCHEMBL10146312 0.73
SCHEMBL1784545 0.71 CHRNB2 (0.36) CHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL12202939 0.71 CHRNB2 (0.36) CHRNB2CHRNB4CHRNA3CHRNA4

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-4355184-A BY REACTING AN ALDEHYDE WITH AN ALKALI METAL SALT OF ACETOACETIC NIPPON SODA COMPANY LIMITED (JP) 1982-10-19 US disclosed