SCHEMBL9033726

SCHEMBL9033726

CCOC(=O)C=CCNC=O

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 8/20 0.58
HCAR2 Q8TDS4 1/20 0.48
ALDH1A1 P00352 3/20 0.44
NPSR1 Q6W5P4 2/20 0.42
TTR P02766 1/20 0.39
DPP4 P27487 1/20 0.39
CA12 O43570 1/20 0.39
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
CA7 P43166 1/20 0.39
CA9 Q16790 1/20 0.39
CA14 Q9ULX7 1/20 0.39
LMNA P02545 3/20 0.37
MDM2 Q00987 1/20 0.37
CYP3A4 P08684 1/20 0.37
TP53 P04637 1/20 0.37
XBP1 P17861 1/20 0.37
MAPK1 P28482 1/20 0.37
AGTR1 P30556 1/20 0.37
HTT P42858 1/20 0.37

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
SCHEMBL17269805 1.00 MAPT (0.58) MAPTHCAR2ALDH1A1NPSR1TTR
SCHEMBL30154063 0.82 MAPT (0.55) MAPTHCAR2ALDH1A1NPSR1TTR
SCHEMBL28320431 0.82 MAPT (0.55) MAPTHCAR2ALDH1A1NPSR1TTR
SCHEMBL18596383 0.82 HCAR2 (0.50) MAPTHCAR2ALDH1A1NPSR1TTR
SCHEMBL5652126 0.82 HCAR2 (0.50) MAPTHCAR2ALDH1A1NPSR1TTR
SCHEMBL7609837 0.80 HCAR2 (0.52) MAPTHCAR2ALDH1A1NPSR1TTR
SCHEMBL11805646 0.80 HCAR2 (0.52) MAPTHCAR2ALDH1A1NPSR1TTR
SCHEMBL9461830 0.79 MAPT (0.51) MAPTHCAR2ALDH1A1NPSR1TTR
SCHEMBL9461829 0.79 MAPT (0.51) MAPTHCAR2ALDH1A1NPSR1TTR
SCHEMBL18970709 0.79 MAPT (0.70) MAPTHCAR2ALDH1A1NPSR1TTR

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