SCHEMBL7012444

SCHEMBL7012444

CCOC(=O)Cc1c(CC)c(C(=O)c2ccccc2-c2ccccc2)n2cccc(OCc3ccccc3)c12

nearest known ligand 0.46

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PLA2G1B P04054 15/20 0.46
PLA2G2A P14555 3/20 0.40
PLA2G2E Q9NZK7 2/20 0.40
PLA2G5 P39877 1/20 0.40
KDM4E B2RXH2 1/20 0.39
ALDH1A1 P00352 1/20 0.39
HPGD P15428 1/20 0.39
HTT P42858 1/20 0.39
HSD17B10 Q99714 1/20 0.39
ATP4A P20648 1/20 0.39
ATP4B P51164 1/20 0.39
PTGER1 P34995 1/20 0.39

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
SCHEMBL7014374 0.89 PLA2G1B (0.57) PLA2G1BPLA2G2APLA2G2EPLA2G5
SCHEMBL8615510 0.87 PLA2G1B (0.50) PLA2G1BPLA2G2APLA2G2EPLA2G5
SCHEMBL7007210 0.84 PLA2G1B (0.53) PLA2G1BPLA2G2APLA2G2EPLA2G5PTGER1
SCHEMBL7013840 0.77 PLA2G1B (0.47) PLA2G1BPLA2G2APLA2G2EPLA2G5ATP4A
SCHEMBL7013764 0.75 PLA2G1B (0.58) PLA2G1BPLA2G2APLA2G2EPLA2G5ALDH1A1
SCHEMBL7014263 0.72 PLA2G1B (0.39) PLA2G1BKDM4EALDH1A1
SCHEMBL7017215 0.72 PLA2G1B (0.83) PLA2G1BPLA2G2APLA2G2EPLA2G5
SCHEMBL8318865 0.72 PLA2G1B (0.48) PLA2G1BPLA2G2APLA2G2EPLA2G5ALDH1A1
SCHEMBL8615512 0.72 PLA2G1B (0.43) PLA2G1BPLA2G2APLA2G2EPLA2G5PTGER1
SCHEMBL7013388 0.71 PLA2G1B (0.48) PLA2G1BPLA2G2AATP4AATP4BPTGER1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6645976-B1 Nonpancreatic secretory phospholipase (sPLA2) supressors such as 2-(3-Benzyl-8-hydroxy-2-ethylindolizin-1-yl)acetamide, administered to control release of fatty acid and prevent the arachidonic acid cascade; septic shock ELI LILLY AND COMPANY 2003-11-11 US disclosed
EP-0772596-B1 INDOLIZINE sPLA2 INHIBITORS LILLY CO ELI (US) 2003-10-01 EP disclosed
EP-0772596-A4 INDOLIZINE sPLA2 INHIBITORS LILLY CO ELI (US) 1999-01-13 EP disclosed
EP-0772596-A1 INDOLIZINE sPLA2 INHIBITORS ELI LILLY AND COMPANY (US) 1997-05-14 EP disclosed
WO-1996003383-A1 INDOLIZINE sPLA2 INHIBITORS ELI LILLY AND COMPANY (US) 1996-02-08 WO disclosed