SCHEMBL7649458

SCHEMBL7649458

CC=CC(O)C(C)C(=O)N1C(=[Se])OC[C@@H]1Cc1ccccc1

nearest known ligand 0.39

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
IL6ST P40189 1/20 0.39
PPARA Q07869 1/20 0.36
ABCB1 P08183 2/20 0.33
IDH1 O75874 5/20 0.32
LTB4R Q15722 1/20 0.32
LTB4R2 Q9NPC1 1/20 0.32
SCD5 Q86SK9 1/20 0.31
KCNH2 Q12809 1/20 0.31
HRH3 Q9Y5N1 1/20 0.31
ALDH1A1 P00352 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
SCHEMBL7652786 0.84 IL6ST (0.41) IL6STPPARAABCB1IDH1LTB4R
SCHEMBL7655411 0.82 PPARA (0.40) IL6STPPARAABCB1SCD5ALDH1A1
SCHEMBL7661064 0.81 IL6ST (0.41) IL6STPPARAABCB1IDH1LTB4R
SCHEMBL21911110 0.78 IL6ST (0.47) IL6STPPARAABCB1IDH1
SCHEMBL23998195 0.78 IL6ST (0.47) IL6STPPARAABCB1IDH1
SCHEMBL16985553 0.76 PPARA (0.49) IL6STPPARAIDH1ALDH1A1
SCHEMBL18985089 0.76 PPARA (0.49) IL6STPPARAIDH1ALDH1A1
SCHEMBL19018653 0.76 IL6ST (0.52) IL6STPPARAIDH1
SCHEMBL5500880 0.76 IL6ST (0.52) IL6STPPARAIDH1
SCHEMBL7797511 0.76 IL6ST (0.52) IL6STPPARAIDH1

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-6448409-B1 ACYLATION OF AN 2-OXAZOLIDINESELONE WITH AN ALKYL ACYLHALIDE AND HYDROXYLATION WITH AN ALDEHYDE THE REGENTS OF THE UNIVERSITY OF CALIFORNIA 2002-09-10 US disclosed