SCHEMBL5763594

SCHEMBL5763594

CCc1c(C(=O)C(N)=O)c2c(OCC(=O)O)nc(C)nc2n1Cc1ccccc1

nearest known ligand 0.61

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PLA2G2A P14555 18/20 0.61
PLA2G1B P04054 9/20 0.61
PLA2G10 O15496 8/20 0.61
PLA2G2E Q9NZK7 8/20 0.61
PLA2G2D Q9UNK4 6/20 0.61
PLA2G5 P39877 5/20 0.61
PLA2G2F Q9BZM2 5/20 0.61
PLA2G6 O60733 1/20 0.61
PLA2G2C Q5R387 1/20 0.61
PLA2G12B Q9BX93 1/20 0.61
PLA2G12A Q9BZM1 1/20 0.61
PLA2G3 Q9NZ20 1/20 0.61

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
SCHEMBL5766238 0.92 PLA2G2A (0.55) PLA2G2APLA2G1BPLA2G10PLA2G2EPLA2G2D
SCHEMBL5762562 0.89 PLA2G2A (0.59) PLA2G2APLA2G1BPLA2G10PLA2G2EPLA2G2D
SCHEMBL5764980 0.88 PLA2G2A (0.58) PLA2G2APLA2G1BPLA2G10PLA2G2EPLA2G2D
SCHEMBL5762119 0.87 PLA2G2A (0.58) PLA2G2APLA2G1BPLA2G10PLA2G2EPLA2G2D
SCHEMBL5766265 0.86 PLA2G2A (0.63) PLA2G2APLA2G1BPLA2G10PLA2G2EPLA2G2D
SCHEMBL7150065 0.86 PLA2G2A (0.51) PLA2G2APLA2G1BPLA2G10PLA2G2EPLA2G2D
SCHEMBL5763443 0.81 PLA2G2A (0.55) PLA2G2APLA2G1BPLA2G10PLA2G2EPLA2G2D
SCHEMBL5764655 0.81 PLA2G2A (0.63) PLA2G2APLA2G1BPLA2G10PLA2G2EPLA2G2D
SCHEMBL3198502 0.80 PLA2G2A (0.72) PLA2G2APLA2G1BPLA2G10PLA2G2EPLA2G2D
SCHEMBL5766050 0.80 PLA2G2A (0.53) PLA2G2APLA2G1BPLA2G10PLA2G2EPLA2G2D

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
EP-1091738-B1 BICYCLIC sPLA 2 INHIBITORS LILLY CO ELI (US) 2006-12-06 EP disclosed
US-6384041-B1 ANTIINFLAMMATORY AGENT, TREATMENT OF SHOCK AND ENZYME INHIBITORS ELI LILLY AND COMPANY 2002-05-07 US disclosed