SCHEMBL7007813

SCHEMBL7007813

CCc1cc2c(OCC(=O)OC)cccn2c1Cc1cccc(-c2ccccc2)c1

nearest known ligand 0.66

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
PLA2G1B P04054 19/20 0.66
KDM4E B2RXH2 1/20 0.44
MEN1 O00255 1/20 0.44
ALDH1A1 P00352 1/20 0.44
MAPT P10636 1/20 0.44
KMT2A Q03164 1/20 0.44

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
SCHEMBL7013828 0.85 PLA2G1B (0.67) PLA2G1B
SCHEMBL8028219 0.85 PLA2G1B (0.55) PLA2G1BKDM4EMEN1ALDH1A1KMT2A
SCHEMBL8022570 0.83 PLA2G1B (0.48) PLA2G1BKDM4EMEN1ALDH1A1MAPT
SCHEMBL8012905 0.82 PLA2G1B (0.60) PLA2G1B
SCHEMBL7010964 0.78 PLA2G1B (0.47) PLA2G1BMEN1KMT2A
SCHEMBL7013364 0.77 PLA2G1B (0.63) PLA2G1BKDM4EMEN1ALDH1A1MAPT
SCHEMBL7013371 0.77 PLA2G1B (0.63) PLA2G1BKDM4EMEN1ALDH1A1MAPT
SCHEMBL7015597 0.77 PLA2G1B (0.54) PLA2G1BKDM4EMEN1ALDH1A1MAPT
SCHEMBL8024688 0.77 PLA2G1B (0.57) PLA2G1B
SCHEMBL8022761 0.77 PLA2G1B (0.66) 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 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