SCHEMBL8028219

SCHEMBL8028219

CCc1cc2c(OCC(=O)OC)cccn2c1Cc1cccc(C(F)(F)F)c1

nearest known ligand 0.55

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PLA2G1B P04054 13/20 0.55
PPARG P37231 2/20 0.39
PPARD Q03181 2/20 0.39
PPARA Q07869 2/20 0.39
KDM4E B2RXH2 1/20 0.39
ALDH1A1 P00352 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
SCD O00767 1/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
PTGER3 P43115 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
SCHEMBL8022761 0.90 PLA2G1B (0.66) PLA2G1BSCD
SCHEMBL7007813 0.85 PLA2G1B (0.66) PLA2G1BKDM4EALDH1A1MEN1KMT2A
SCHEMBL8323820 0.84 PLA2G1B (0.51) PLA2G1B
SCHEMBL7048835 0.80 PLA2G1B (0.86) PLA2G1B
SCHEMBL8071903 0.79 PLA2G1B (0.59) PLA2G1BSCD
SCHEMBL8022570 0.77 PLA2G1B (0.48) PLA2G1BKDM4EALDH1A1SMN1; SMN2MEN1
SCHEMBL8012905 0.76 PLA2G1B (0.60) PLA2G1B
SCHEMBL7013828 0.76 PLA2G1B (0.67) PLA2G1B
SCHEMBL5000568 0.73 PTGDR2 (0.47) PLA2G1BPPARGPPARDPPARASCD
SCHEMBL9080274 0.72 PLA2G1B (0.45) PLA2G1B

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0977566-A1 METHOD FOR THE TREATMENT OF STROKE USING N-HETEROCYCLIC GLYOXYLAMIDE COMPOUNDS SHIONOGI & CO., LTD. (JP) 2000-02-09 EP claimed
WO-1998047508-A1 METHOD FOR THE TREATMENT OF STROKE USING N-HETEROCYCLIC GLYOXYLAMIDE COMPOUNDS SHIONOGI & CO., LTD. (JP) 1998-10-29 WO claimed
EP-0977566-A1 METHOD FOR THE TREATMENT OF STROKE USING N-HETEROCYCLIC GLYOXYLAMIDE COMPOUNDS SHIONOGI & CO., LTD. (JP) 2000-02-09 EP disclosed
WO-1998047508-A1 METHOD FOR THE TREATMENT OF STROKE USING N-HETEROCYCLIC GLYOXYLAMIDE COMPOUNDS SHIONOGI & CO., LTD. (JP) 1998-10-29 WO disclosed