SCHEMBL5763475

SCHEMBL5763475

CCc1c(C(=O)C(N)=O)c2c(OCC(=O)O)nc(SC)nc2n1Cc1ccccc1-c1ccccc1

nearest known ligand 0.61

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PLA2G2A P14555 17/20 0.61
PLA2G1B P04054 11/20 0.49
PLA2G5 P39877 6/20 0.49
PLA2G10 O15496 5/20 0.49
PLA2G2E Q9NZK7 5/20 0.47
PLA2G2F Q9BZM2 2/20 0.47
PLA2G2D Q9UNK4 2/20 0.47
PLA2G6 O60733 1/20 0.47
PLA2G2C Q5R387 1/20 0.47
PLA2G12B Q9BX93 1/20 0.47
PLA2G12A Q9BZM1 1/20 0.47
PLA2G3 Q9NZ20 1/20 0.47

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
SCHEMBL13484826 0.94 PLA2G2A (0.53) PLA2G2APLA2G1BPLA2G5PLA2G10PLA2G2E
SCHEMBL5762692 0.93 PLA2G2A (0.52) PLA2G2APLA2G1BPLA2G5PLA2G10PLA2G2E
SCHEMBL5764980 0.90 PLA2G2A (0.58) PLA2G2APLA2G1BPLA2G5PLA2G10PLA2G2E
SCHEMBL5765497 0.89 PLA2G2A (0.47) PLA2G2APLA2G1BPLA2G5PLA2G10PLA2G2E
SCHEMBL7155029 0.87 PLA2G2A (0.49) PLA2G2APLA2G1BPLA2G5PLA2G10PLA2G2E
SCHEMBL5762900 0.85 PLA2G2A (0.66) PLA2G2APLA2G1BPLA2G5PLA2G10PLA2G2E
SCHEMBL5763942 0.83 PLA2G2A (0.51) PLA2G2APLA2G1BPLA2G5PLA2G10PLA2G2E
SCHEMBL5764655 0.83 PLA2G2A (0.63) PLA2G2APLA2G1BPLA2G5PLA2G10PLA2G2E
SCHEMBL5766050 0.82 PLA2G2A (0.53) PLA2G2APLA2G1BPLA2G5PLA2G10PLA2G2E
SCHEMBL5762119 0.82 PLA2G2A (0.58) PLA2G2APLA2G1BPLA2G5PLA2G10PLA2G2E

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