SCHEMBL7017169

SCHEMBL7017169

NC(=O)C(=O)c1c(C2CC2)c(Cc2ccccc2)n2cccc(OCC(=O)O)c12

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
PLA2G1B P04054 20/20 1.00

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
SCHEMBL7015420 0.92 PLA2G1B (0.85) PLA2G1B
SCHEMBL7006656 0.92 PLA2G1B (0.84) PLA2G1B
SCHEMBL5892138 0.89 PLA2G1B (1.00) PLA2G1B
SCHEMBL7012847 0.85 PLA2G1B (1.00) PLA2G1B
SCHEMBL7006587 0.84 PLA2G1B (0.98) PLA2G1B
SCHEMBL7011907 0.84 PLA2G1B (0.73) PLA2G1B
SCHEMBL7018369 0.83 PLA2G1B (1.00) PLA2G1B
SCHEMBL8323100 0.83 PLA2G1B (0.83) PLA2G1B
SCHEMBL5892148 0.82 PLA2G1B (1.00) PLA2G1B
SCHEMBL7047797 0.81 PLA2G1B (0.94) 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 2 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