SCHEMBL5709082

SCHEMBL5709082

C=CCCC(C(N)=O)S(=O)(=O)O

nearest known ligand 0.32

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
CA2 P00918 1/20 0.32
CA9 Q16790 1/20 0.32

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
SCHEMBL27694981 0.74 TP53 (0.30)
Allyl Alcohol SCHEMBL27465733 0.73 TSHR (0.33)
SCHEMBL27368648 0.72 CA1 (0.30) CA2
SCHEMBL27399020 0.72 HDAC1 (0.41) CA2
SCHEMBL17425165 0.72 ANPEP (0.34)
SCHEMBL28560794 0.72
SCHEMBL28289138 0.72 CA2 (0.33) CA2CA9
SCHEMBL29119952 0.71 ALOX15 (0.35)
SCHEMBL28771135 0.69 GPR84 (0.33) CA2
SCHEMBL27697229 0.69 CA2 (0.50) CA2

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
EP-1708765-A2 BIOCOMPATIBLE POLYMERIZATION ACCELERATORS SurModics, Inc. (US) 2006-10-11 EP disclosed
WO-2005054304-A2 BIOCOMPATIBLE POLYMERIZATION ACCELERATORS SURMODICS, INC. (US) 2005-06-16 WO disclosed