SCHEMBL8022570

SCHEMBL8022570

CCOC(=O)COc1cccn2c(Cc3ccccc3)c(CC)cc12

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PLA2G1B P04054 11/20 0.48
ABCB1 P08183 1/20 0.47
KDM4E B2RXH2 1/20 0.43
CASP3 P42574 1/20 0.42
CASP7 P55210 1/20 0.42
CASP9 P55211 1/20 0.42
USP2 O75604 1/20 0.42
NPC1 O15118 2/20 0.42
RAB9A P51151 2/20 0.42
ALDH1A1 P00352 2/20 0.42
MAPK1 P28482 2/20 0.42
S1PR4 O95977 1/20 0.42
LMNA P02545 1/20 0.42
MAPT P10636 1/20 0.42
ITGA4 P13612 1/20 0.42
HPGD P15428 1/20 0.42
S1PR1 P21453 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
TLR9 Q9NR96 1/20 0.42

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
SCHEMBL8012079 0.90 ABCB1 (0.48) PLA2G1BABCB1KDM4ECASP3CASP7
SCHEMBL8012905 0.89 PLA2G1B (0.60) PLA2G1B
SCHEMBL8024688 0.87 PLA2G1B (0.57) PLA2G1B
SCHEMBL8028089 0.85 PLA2G1B (0.54) PLA2G1BKDM4ECASP3CASP7CASP9
SCHEMBL7011597 0.83 ATP4A (0.44) PLA2G1BMAPK1MAPTMEN1KMT2A
SCHEMBL7007813 0.83 PLA2G1B (0.66) PLA2G1BKDM4EALDH1A1MAPTMEN1
SCHEMBL8011739 0.78 PLA2G1B (0.58) PLA2G1BSMN1; SMN2POLBL3MBTL1
SCHEMBL7010964 0.78 PLA2G1B (0.47) PLA2G1BMAPK1MEN1KMT2A
SCHEMBL7006186 0.77 PLA2G1B (0.48) PLA2G1BABCB1MAPK1MAPTMEN1
SCHEMBL7013828 0.77 PLA2G1B (0.67) 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-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