SCHEMBL7013396

SCHEMBL7013396

CCC(=O)C(CC)Cc1cn2cccc(OCc3ccccc3)c2c1C(=O)C(N)=O

nearest known ligand 0.44

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PLA2G1B P04054 18/20 0.44
PLA2G2A P14555 4/20 0.38
PLA2G2E Q9NZK7 4/20 0.38
PLA2G5 P39877 3/20 0.38
PLA2G2F Q9BZM2 2/20 0.38
PLA2G10 O15496 2/20 0.38
PLA2G6 O60733 1/20 0.38
PLA2G2C Q5R387 1/20 0.38
PLA2G12B Q9BX93 1/20 0.38
PLA2G12A Q9BZM1 1/20 0.38
PLA2G3 Q9NZ20 1/20 0.38
PLA2G2D Q9UNK4 1/20 0.38

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
SCHEMBL7010405 0.85 PLA2G1B (0.47) PLA2G1BPLA2G2APLA2G2EPLA2G5PLA2G2F
SCHEMBL7011352 0.75 FOLH1 (0.47) PLA2G1B
SCHEMBL7014122 0.72 PLA2G1B (0.53) PLA2G1BPLA2G2A
SCHEMBL8345231 0.72 KDM4E (0.45) PLA2G1B
SCHEMBL3952696 0.70 RXRA (0.49) PLA2G1B
SCHEMBL7014263 0.68 PLA2G1B (0.39) PLA2G1B
SCHEMBL7017189 0.68 PLA2G1B (0.84) PLA2G1BPLA2G2APLA2G2EPLA2G5
SCHEMBL7008241 0.67 PLA2G1B (0.68) PLA2G1BPLA2G2APLA2G2EPLA2G5
SCHEMBL13794527 0.67 MAPT (0.45)
SCHEMBL7011022 0.67 KDM4E (0.44)

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