SCHEMBL9545151

SCHEMBL9545151

CC(C)C(=O)O/C=C/OC(=O)C(C)C

nearest known ligand 0.37

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
MIF P14174 1/20 0.33
ELANE P08246 1/20 0.33
TSHR P16473 3/20 0.32
SMN1; SMN2 Q16637 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
SCHEMBL9545155 1.00 MIF (0.33) MIFELANETSHRSMN1; SMN2
SCHEMBL5451238 0.84
SCHEMBL13309326 0.80 TSHR (0.34) TSHR
SCHEMBL524350 0.79
SCHEMBL445941 0.79
SCHEMBL5444527 0.78
SCHEMBL828525 0.77
SCHEMBL2719646 0.77 MIF (0.31) MIFELANETSHR
SCHEMBL93534 0.77
SCHEMBL14763975 0.77 TRPA1 (0.36)

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
WO-1993025566-A1 DEUTERATED NUCLEOSIDES CHATTOPADHYAYA JYOTI (SE) 1993-12-23 WO claimed