SCHEMBL8028089

SCHEMBL8028089

CCOC(=O)COc1cccn2c(Cc3cccc4ccccc34)c(CC)cc12

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PLA2G1B P04054 6/20 0.54
PLA2G2A P14555 2/20 0.53
ALDH1A1 P00352 2/20 0.43
MAPK1 P28482 2/20 0.43
MITF O75030 1/20 0.43
LMNA P02545 1/20 0.43
HSP90AA1 P07900 1/20 0.43
MAPT P10636 1/20 0.43
PKM P14618 1/20 0.43
HPGD P15428 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
TLR9 Q9NR96 1/20 0.43
PDE10A Q9Y233 3/20 0.42
KDM4E B2RXH2 2/20 0.42
CASP3 P42574 1/20 0.41
CASP7 P55210 1/20 0.41
CASP9 P55211 1/20 0.41
F2RL3 Q96RI0 1/20 0.41
F9 P00740 1/20 0.40
KMT2A Q03164 2/20 0.40

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
SCHEMBL8011759 0.89 PLA2G1B (0.67) PLA2G1BPLA2G2AALDH1A1HPGDKDM4E
SCHEMBL8022570 0.85 PLA2G1B (0.48) PLA2G1BALDH1A1MAPK1LMNAMAPT
SCHEMBL8024688 0.84 PLA2G1B (0.57) PLA2G1BPLA2G2A
SCHEMBL7051145 0.79 PLA2G1B (0.84) PLA2G1BPLA2G2A
SCHEMBL8081096 0.78 PLA2G1B (0.58) PLA2G1BPLA2G2A
SCHEMBL7238890 0.77 PLA2G1B (0.63) PLA2G1BPLA2G2AALDH1A1HPGDKDM4E
SCHEMBL7013828 0.75 PLA2G1B (0.67) PLA2G1BPLA2G2A
SCHEMBL8012079 0.75 ABCB1 (0.48) PLA2G1BALDH1A1MAPK1LMNAMAPT
SCHEMBL31520212 0.74 TSHR (0.67) ALDH1A1MAPK1MITFLMNAHSP90AA1
SCHEMBL11490448 0.74 TSHR (0.67) ALDH1A1MAPK1MITFLMNAHSP90AA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1037630-A2 METHOD FOR THE TREATMENT OF DISORDERS ASSOCIATED WITH APOPTOSIS USING N-HETEROCYCLIC GLYOXYLAMIDE COMPOUNDS SHIONOGI & CO., LTD. (JP) 2000-09-27 EP claimed
EP-0977566-A1 METHOD FOR THE TREATMENT OF STROKE USING N-HETEROCYCLIC GLYOXYLAMIDE COMPOUNDS SHIONOGI & CO., LTD. (JP) 2000-02-09 EP claimed
WO-1999024026-A2 METHOD FOR THE TREATMENT OF DISORDERS ASSOCIATED WITH APOPTOSIS USING N-HETEROCYCLIC GLYOXYLAMIDE COMPOUNDS SHIONOGI & CO., LTD. (JP) 1999-05-20 WO 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