SCHEMBL6687799

SCHEMBL6687799

NC(=O)c1cccc2c1c1c(OCC(=O)O)cccc1n2CCc1ccccc1F

nearest known ligand 0.47

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PLA2G2A P14555 19/20 0.47
PLA2G1B P04054 8/20 0.46
PLA2G10 O15496 3/20 0.46
PLA2G5 P39877 3/20 0.46
PLA2G2E Q9NZK7 2/20 0.45
PLA2G6 O60733 1/20 0.43
PLA2G2C Q5R387 1/20 0.43
PLA2G12B Q9BX93 1/20 0.43
PLA2G12A Q9BZM1 1/20 0.43
PLA2G2F Q9BZM2 1/20 0.43
PLA2G3 Q9NZ20 1/20 0.43
PLA2G2D Q9UNK4 1/20 0.43
SIRT2 Q8IXJ6 1/20 0.42

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
SCHEMBL29862858 0.91 PLA2G2A (0.52) PLA2G2APLA2G1BPLA2G10PLA2G5PLA2G2E
SCHEMBL817716 0.91 PLA2G2A (0.52) PLA2G2APLA2G1BPLA2G10PLA2G5PLA2G2E
SCHEMBL6686113 0.87 PLA2G2A (0.56) PLA2G2APLA2G1BPLA2G10PLA2G5PLA2G2E
SCHEMBL6776872 0.86 PLA2G2A (0.55) PLA2G2APLA2G1BPLA2G10PLA2G5PLA2G2E
SCHEMBL819128 0.85 PLA2G2A (0.49) PLA2G2APLA2G1BPLA2G10PLA2G5PLA2G2E
SCHEMBL30411509 0.85 PLA2G2A (0.49) PLA2G2APLA2G1BPLA2G10PLA2G5PLA2G2E
SCHEMBL30410857 0.84 PLA2G2A (0.49) PLA2G2APLA2G1BPLA2G10PLA2G5PLA2G2E
SCHEMBL817427 0.84 PLA2G2A (0.49) PLA2G2APLA2G1BPLA2G10PLA2G5PLA2G2E
SCHEMBL6781718 0.83 PLA2G2A (0.53) PLA2G2APLA2G1BPLA2G10PLA2G5PLA2G2E
SCHEMBL6692598 0.82 PLA2G2A (0.48) PLA2G2APLA2G1BPLA2G10PLA2G5PLA2G2E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-2004503586-A 2004-02-05 JP claimed
EP-1303262-A2 USE OF A SPLA2 INHIBITOR FOR THE TREATMENT OF SEPSIS ELI LILLY AND COMPANY (US) 2003-04-23 EP claimed
WO-2002005796-A2 USE OF A SPLA2 INHIBITOR FOR THE TREATMENT OF SEPSIS ELI LILLY AND COMPANY (US) 2002-01-24 WO claimed
EP-1265607-A2 METHOD FOR THE TREATMENT OF RENAL DYSFUNCTION WITH sPLA 2 INHIBITORS ELI LILLY AND COMPANY (US) 2002-12-18 EP disclosed
WO-2001066111-A1 COMPOSITIONS CONTAINING POTENTIAL SPLA2 INHIBITORS FOR THE TREATMENT OF PAIN ELI LILLY AND COMPANY (US) 2001-09-13 WO disclosed
WO-2001066110-A2 METHOD FOR THE TREATMENT OF RENAL DYSFUNCTION WITH sPLA2 INHIBITORS ELI LILLY AND COMPANY (US) 2001-09-13 WO disclosed