SCHEMBL7682372

SCHEMBL7682372

CCc1c(C(=O)C(N)=O)c2c(OCC(=O)O)cccc2n1Cc1cccc(-c2ccccc2)c1

nearest known ligand 0.87

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PLA2G2A P14555 19/20 0.87
PLA2G1B P04054 9/20 0.87
PLA2G10 O15496 7/20 0.87
PLA2G2E Q9NZK7 7/20 0.87
PLA2G5 P39877 6/20 0.87
PLA2G2F Q9BZM2 5/20 0.87
PLA2G2D Q9UNK4 5/20 0.87
PLA2G6 O60733 1/20 0.87
PLA2G2C Q5R387 1/20 0.87
PLA2G12B Q9BX93 1/20 0.87
PLA2G12A Q9BZM1 1/20 0.87
PLA2G3 Q9NZ20 1/20 0.87

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
Varespladib SCHEMBL29358982 0.93 PLA2G2A (1.00) PLA2G2APLA2G1BPLA2G10PLA2G2EPLA2G5
Varespladib SCHEMBL26726 0.93 PLA2G2A (1.00) PLA2G2APLA2G1BPLA2G10PLA2G2EPLA2G5
SCHEMBL818585 0.90 PLA2G2A (1.00) PLA2G2APLA2G1BPLA2G10PLA2G2EPLA2G5
SCHEMBL819886 0.89 PLA2G2A (1.00) PLA2G2APLA2G1BPLA2G10PLA2G2EPLA2G5
Varespladib SCHEMBL1232548 0.87 PLA2G2A (0.83) PLA2G2APLA2G1BPLA2G10PLA2G2EPLA2G5
Varespladib SCHEMBL29430154 0.87 PLA2G2A (0.83) PLA2G2APLA2G1BPLA2G10PLA2G2EPLA2G5
SCHEMBL818498 0.86 PLA2G2A (1.00) PLA2G2APLA2G1BPLA2G10PLA2G2EPLA2G5
SCHEMBL5150404 0.85 PLA2G2A (0.84) PLA2G2APLA2G1BPLA2G10PLA2G2EPLA2G5
Varespladib Methyl SCHEMBL29378302 0.85 PLA2G2A (0.83) PLA2G2APLA2G1BPLA2G10PLA2G2EPLA2G5
Varespladib Methyl SCHEMBL25678 0.85 PLA2G2A (0.83) PLA2G2APLA2G1BPLA2G10PLA2G2EPLA2G5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6340699-B1 SECRETORY PHOSPHOLIPASE A2 INHIBITORS WITH ANTIINFLAMMATORY AGENTS, ANTIBIOTICS, STEROIDS, IMMUNOSUPPRESSOR AGENTS AND/OR DIARRHEA CONTROLLING AGENTS; TREATING INFLAMMATORY BOWEL DISEASE ELI LILLY AND COMPANY 2002-01-22 US disclosed