SCHEMBL7964280

SCHEMBL7964280

CCc1c(CC(N)=O)c2c(OCC(=O)OC)cccc2n1Cc1ccccc1

nearest known ligand 0.85

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PLA2G2A P14555 20/20 0.85
PLA2G10 O15496 1/20 0.60
PLA2G6 O60733 1/20 0.60
PLA2G1B P04054 1/20 0.60
PLA2G5 P39877 1/20 0.60
PLA2G2C Q5R387 1/20 0.60
PLA2G12B Q9BX93 1/20 0.60
PLA2G12A Q9BZM1 1/20 0.60
PLA2G2F Q9BZM2 1/20 0.60
PLA2G3 Q9NZ20 1/20 0.60
PLA2G2E Q9NZK7 1/20 0.60
PLA2G2D Q9UNK4 1/20 0.60

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
SCHEMBL7965788 0.92 PLA2G2A (0.83) PLA2G2APLA2G10PLA2G6PLA2G1BPLA2G5
SCHEMBL7953315 0.91 PLA2G2A (1.00) PLA2G2APLA2G10PLA2G6PLA2G1BPLA2G5
SCHEMBL5710598 0.89 PLA2G2A (0.86) PLA2G2APLA2G10PLA2G6PLA2G1BPLA2G5
SCHEMBL7952717 0.88 PLA2G2A (1.00) PLA2G2APLA2G10PLA2G1BPLA2G5PLA2G2E
SCHEMBL7964020 0.88 PLA2G2A (1.00) PLA2G2A
Varespladib Methyl SCHEMBL25678 0.84 PLA2G2A (0.83) PLA2G2APLA2G10PLA2G6PLA2G1BPLA2G5
Varespladib Methyl SCHEMBL29378302 0.84 PLA2G2A (0.83) PLA2G2APLA2G10PLA2G6PLA2G1BPLA2G5
SCHEMBL7961433 0.84 PLA2G2A (1.00) PLA2G2APLA2G10PLA2G6PLA2G1BPLA2G5
SCHEMBL8926129 0.84 PLA2G2A (0.80) PLA2G2A
SCHEMBL4823859 0.81 PLA2G2A (0.83) PLA2G2APLA2G10PLA2G1BPLA2G5PLA2G2E

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