SCHEMBL7965081

SCHEMBL7965081

COc1ccc2c(c1)c(CC(N)=O)c(C)n2Cc1ccc(OCc2ccccc2)cc1

nearest known ligand 0.86

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
PLA2G2A P14555 20/20 0.86
PLA2G1B P04054 1/20 0.72

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
SCHEMBL7952983 0.93 PLA2G2A (0.83) PLA2G2APLA2G1B
SCHEMBL7953243 0.93 PLA2G2A (1.00) PLA2G2APLA2G1B
SCHEMBL7963230 0.92 PLA2G2A (0.86) PLA2G2APLA2G1B
SCHEMBL8297412 0.90 PLA2G2A (0.87) PLA2G2APLA2G1B
SCHEMBL13484794 0.89 PLA2G2A (0.84) PLA2G2A
SCHEMBL7965802 0.89 PLA2G2A (0.70) PLA2G2APLA2G1B
SCHEMBL7953342 0.85 PLA2G2A (0.86) PLA2G2APLA2G1B
SCHEMBL8610794 0.85 PTGS2 (0.82) PLA2G2APLA2G1B
SCHEMBL7952696 0.85 PLA2G2A (1.00) PLA2G2A
SCHEMBL7963970 0.84 PLA2G2A (1.00) PLA2G2APLA2G1B

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6252084-B1 THERAPY FOR SEPSIS SHOCK ELI LILLY AND COMPANY 2001-06-26 US disclosed
EP-0620215-B1 1H-indole-3-acetamide derivatives as sPLA2 inhibitors LILLY CO ELI (US) 1999-08-18 EP disclosed
US-5684034-A INHIBITORS OF HUMAN NON-PANCREATIC SECRETORY PHOSPHOLIPASE A2, TREATMENT OF SEPTIC SHOCK, TRAUMA, RESPIRATORY DISORDERS, RHEUMATIC ARTHRITIS, INHIBITORS OF ARACHIDONIC ACID RELEASE ELI LILLY AND COMPANY (US) 1997-11-04 US disclosed
EP-0620215-A1 1H-indole-3-acetamide derivatives as sPLA2 inhibitors ELI LILLY AND COMPANY (US) 1994-10-19 EP disclosed