SCHEMBL8011759

SCHEMBL8011759

CCc1cc2c(OCC(=O)O)cccn2c1Cc1cccc2ccccc12

nearest known ligand 0.67

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PLA2G1B P04054 16/20 0.67
PLA2G2A P14555 5/20 0.66
KDM4E B2RXH2 1/20 0.50
ALDH1A1 P00352 1/20 0.50
HPGD P15428 1/20 0.50
TDP1 Q9NUW8 1/20 0.50
PLA2G2E Q9NZK7 3/20 0.48
PLA2G5 P39877 2/20 0.48
PLA2G10 O15496 1/20 0.46
PLA2G2F Q9BZM2 1/20 0.43

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
SCHEMBL8028089 0.89 PLA2G1B (0.54) PLA2G1BPLA2G2AKDM4EALDH1A1HPGD
SCHEMBL8012905 0.85 PLA2G1B (0.60) PLA2G1BPLA2G2APLA2G2EPLA2G5
SCHEMBL8022769 0.84 PLA2G1B (0.66) PLA2G1BPLA2G2APLA2G2EPLA2G5PLA2G10
SCHEMBL7006865 0.79 PLA2G1B (1.00) PLA2G1BPLA2G2APLA2G2EPLA2G5PLA2G2F
SCHEMBL8084309 0.77 PLA2G1B (0.69) PLA2G1BPLA2G2AKDM4EALDH1A1HPGD
SCHEMBL8022761 0.77 PLA2G1B (0.66) PLA2G1B
SCHEMBL7238890 0.76 PLA2G1B (0.63) PLA2G1BPLA2G2AKDM4EALDH1A1HPGD
SCHEMBL7013828 0.76 PLA2G1B (0.67) PLA2G1BPLA2G2APLA2G2EPLA2G5PLA2G10
SCHEMBL8024688 0.75 PLA2G1B (0.57) PLA2G1BPLA2G2APLA2G2EPLA2G5PLA2G10
SCHEMBL8022570 0.74 PLA2G1B (0.48) PLA2G1BKDM4EALDH1A1HPGD

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