SCHEMBL9033852

SCHEMBL9033852

COC(=O)C=C(C)NC=O

nearest known ligand 0.42

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.42
HCAR2 Q8TDS4 2/20 0.42
KEAP1 Q14145 1/20 0.42
NFE2L2 Q16236 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.41
ALDH1A1 P00352 2/20 0.35
ALOX15 P16050 1/20 0.31
RECQL P46063 1/20 0.31
HSD17B10 Q99714 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
SCHEMBL9031843 0.79 NPSR1 (0.53) HCAR2SMN1; SMN2ALDH1A1ALOX15HSD17B10
SCHEMBL12431015 0.75
SCHEMBL1740 0.75
SCHEMBL11707587 0.75
SCHEMBL9033677 0.75
SCHEMBL23829843 0.75
SCHEMBL1739 0.75
SCHEMBL11708371 0.75 HCAR2 (0.46) TSHRHCAR2KEAP1NFE2L2SMN1; SMN2
SCHEMBL2326353 0.73 SMN1; SMN2 (0.50) TSHRHCAR2KEAP1NFE2L2SMN1; SMN2
SCHEMBL2326348 0.73 SMN1; SMN2 (0.50) TSHRHCAR2KEAP1NFE2L2SMN1; SMN2

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
EP-0705835-A1 Quinoxalic-2,3-diones with an oxa or thiaheterocyclic fused ring CIBA-GEIGY AG (CH) 1996-04-10 EP disclosed