SCHEMBL8084309

SCHEMBL8084309

CCc1c(NC(=O)C=O)c2c(OCC(=O)O)cccn2c1Cc1cccc2ccccc12

nearest known ligand 0.69

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PLA2G1B P04054 16/20 0.69
PLA2G2A P14555 4/20 0.68
PLA2G2E Q9NZK7 3/20 0.51
PLA2G5 P39877 2/20 0.51
PLA2G2F Q9BZM2 1/20 0.44
PLA2G10 O15496 1/20 0.43
KDM4E B2RXH2 1/20 0.43
ALDH1A1 P00352 1/20 0.43
HPGD P15428 1/20 0.43
TDP1 Q9NUW8 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
SCHEMBL8081096 0.91 PLA2G1B (0.58) PLA2G1BPLA2G2APLA2G2EPLA2G5
SCHEMBL9081427 0.91 PLA2G1B (0.57) PLA2G1BPLA2G2APLA2G2EPLA2G5
SCHEMBL9081694 0.89 PLA2G1B (0.54) PLA2G1BPLA2G2APLA2G2EPLA2G5
SCHEMBL8080011 0.86 PLA2G1B (0.68) PLA2G1BPLA2G2APLA2G2EPLA2G5PLA2G2F
SCHEMBL8025842 0.86 PLA2G1B (0.64) PLA2G1BPLA2G2APLA2G2EPLA2G5
SCHEMBL9080324 0.85 PLA2G1B (0.50) PLA2G1BPLA2G2APLA2G2EPLA2G5ALDH1A1
SCHEMBL9081279 0.84 PLA2G1B (0.49) PLA2G1BPLA2G2APLA2G2EPLA2G5
SCHEMBL8028750 0.81 PLA2G1B (0.71) PLA2G1BPLA2G2APLA2G2EPLA2G5PLA2G2F
SCHEMBL8079807 0.80 PLA2G1B (0.68) PLA2G1BPLA2G2A
SCHEMBL7006865 0.80 PLA2G1B (1.00) PLA2G1BPLA2G2APLA2G2EPLA2G5PLA2G2F

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 3 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 disclosed
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 disclosed
WO-1996003383-A1 INDOLIZINE sPLA2 INHIBITORS ELI LILLY AND COMPANY (US) 1996-02-08 WO disclosed