SCHEMBL7014306

SCHEMBL7014306

COC(=O)COc1cccn2c(CC3CCCCC3)c(C3CC3)cc12

nearest known ligand 0.61

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PLA2G1B P04054 10/20 0.61
PTGDR2 Q9Y5Y4 4/20 0.48
PTGDR Q13258 1/20 0.48
HPGD P15428 2/20 0.40
PLA2G2A P14555 1/20 0.39
GLA P06280 1/20 0.37
ALDH1A1 P00352 1/20 0.36

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
SCHEMBL7006598 0.82 PTGDR2 (0.48) PLA2G1BPTGDR2PTGDRHPGDPLA2G2A
SCHEMBL7009863 0.79 PLA2G1B (0.66) PLA2G1BPTGDR2PTGDRPLA2G2A
SCHEMBL7010592 0.78 PLA2G1B (0.61) PLA2G1BPLA2G2A
SCHEMBL7238890 0.78 PLA2G1B (0.63) PLA2G1BPTGDR2PTGDRHPGDPLA2G2A
SCHEMBL7013923 0.78 HTR1A (0.43) PLA2G1BALDH1A1
SCHEMBL7010673 0.76 PLA2G1B (1.00) PLA2G1B
SCHEMBL7006844 0.74 PLA2G1B (0.98) PLA2G1B
SCHEMBL7009236 0.72 PLA2G1B (0.84) PLA2G1B
SCHEMBL7010871 0.72 PLA2G1B (0.84) PLA2G1B
SCHEMBL7014239 0.72 PLA2G1B (0.84) PLA2G1BPLA2G2A

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