SCHEMBL8053121

SCHEMBL8053121

NC(=O)c1cccc2c1c1c(OCC(=O)O)cccc1n2Cc1c(Cl)cccc1Cl.NC(=O)c1cccc2c1c1c(OCC(=O)O)cccc1n2Cc1cccc(OC(F)(F)F)c1

nearest known ligand 0.51

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PLA2G2A P14555 18/20 0.51
PPARG P37231 1/20 0.46
PLA2G1B P04054 5/20 0.46
PLA2G10 O15496 3/20 0.45
PLA2G2E Q9NZK7 3/20 0.45
PLA2G5 P39877 2/20 0.45
PLA2G2F Q9BZM2 2/20 0.43
PLA2G2D Q9UNK4 2/20 0.43
PLA2G6 O60733 1/20 0.43
PLA2G2C Q5R387 1/20 0.43
PLA2G12B Q9BX93 1/20 0.43
PLA2G12A Q9BZM1 1/20 0.43
PLA2G3 Q9NZ20 1/20 0.43

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
SCHEMBL7626583 0.96 PLA2G2A (0.47) PLA2G2APPARGPLA2G1BPLA2G10PLA2G2E
SCHEMBL818102 0.93 PLA2G2A (0.50) PLA2G2APPARGPLA2G1BPLA2G10PLA2G2E
SCHEMBL30410237 0.93 PLA2G2A (0.50) PLA2G2APPARGPLA2G1BPLA2G10PLA2G2E
SCHEMBL6691134 0.92 PLA2G2A (0.49) PLA2G2APPARGPLA2G1BPLA2G10PLA2G2E
SCHEMBL6691146 0.92 PLA2G2A (0.49) PLA2G2APPARGPLA2G1BPLA2G10PLA2G2E
SCHEMBL818097 0.86 PLA2G2A (0.65) PLA2G2APLA2G1BPLA2G10PLA2G2EPLA2G5
SCHEMBL6691137 0.85 PLA2G2A (0.49) PLA2G2APPARGPLA2G1BPLA2G10PLA2G2E
SCHEMBL7663416 0.83 PLA2G2A (0.39) PLA2G2APPARGPLA2G1BPLA2G10PLA2G2E
SCHEMBL29862777 0.81 PLA2G2A (0.53) PLA2G2APLA2G1BPLA2G10PLA2G2EPLA2G5
SCHEMBL817316 0.81 PLA2G2A (0.53) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1007056-A1 METHOD FOR THE TREATMENT OF CYSTIC FIBROSIS ELI LILLY AND COMPANY (US) 2000-06-14 EP claimed
WO-1999016453-A1 METHOD FOR THE TREATMENT OF CYSTIC FIBROSIS ELI LILLY AND COMPANY (US) 1999-04-08 WO claimed