SCHEMBL7006601

SCHEMBL7006601

COC(=O)COc1cccn2cc(C3CC3)c(C(=O)C3CCCCC3)c12

nearest known ligand 0.49

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PLA2G1B P04054 8/20 0.49
PTGDR2 Q9Y5Y4 5/20 0.46
PTGDR Q13258 1/20 0.46
KMT2A Q03164 2/20 0.40
MEN1 O00255 1/20 0.40
PLA2G2A P14555 1/20 0.37
ALDH1A1 P00352 1/20 0.36
HPGD P15428 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 0.78 PTGDR2 (0.48) PLA2G1BPTGDR2PTGDRKMT2AMEN1
SCHEMBL7013826 0.72 PTGDR2 (0.48) PLA2G1BPTGDR2PTGDRPLA2G2AALDH1A1
SCHEMBL7009318 0.72 PTGDR (0.42) PLA2G1BPTGDR2PTGDRKMT2AMEN1
SCHEMBL27159577 0.71 PTGDR2 (0.61) PTGDR2PTGDRKMT2AMEN1ALDH1A1
SCHEMBL7014306 0.70 PLA2G1B (0.61) PLA2G1BPTGDR2PTGDRPLA2G2AALDH1A1
SCHEMBL9080973 0.67 KMT2A (0.41) KMT2AMEN1ALDH1A1HPGD
SCHEMBL7010673 0.66 PLA2G1B (1.00) PLA2G1B
SCHEMBL7012342 0.65 LMNA (0.46) PLA2G1BKMT2AMEN1PLA2G2AALDH1A1
SCHEMBL7006844 0.65 PLA2G1B (0.98) PLA2G1B
SCHEMBL7006564 0.63 LMNA (0.43) PLA2G1BKMT2AMEN1PLA2G2AALDH1A1

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