SCHEMBL8502450

SCHEMBL8502450

CCc1c(C(=O)C(N)=O)c2c(C(O)C(=O)OC)cccc2n1Cc1cccc(Cl)c1

nearest known ligand 0.64

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PLA2G2A P14555 19/20 0.64
PLA2G1B P04054 4/20 0.64
PLA2G10 O15496 5/20 0.54
PLA2G5 P39877 4/20 0.54
PLA2G2E Q9NZK7 4/20 0.54
PLA2G2F Q9BZM2 3/20 0.54
PLA2G2D Q9UNK4 3/20 0.54
PLA2G6 O60733 1/20 0.53
PLA2G2C Q5R387 1/20 0.53
PLA2G12B Q9BX93 1/20 0.53
PLA2G12A Q9BZM1 1/20 0.53
PLA2G3 Q9NZ20 1/20 0.53

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
SCHEMBL8502375 0.92 PLA2G2A (0.68) PLA2G2APLA2G1BPLA2G10PLA2G5PLA2G2E
SCHEMBL8924638 0.86 PLA2G2A (0.64) PLA2G2APLA2G1B
Acetic Acid Methyl Ester SCHEMBL27783503 0.84 PLA2G2A (0.67) PLA2G2APLA2G1BPLA2G10PLA2G5PLA2G2E
SCHEMBL7964652 0.83 PLA2G2A (0.83) PLA2G2APLA2G1BPLA2G10PLA2G5PLA2G2E
SCHEMBL8502447 0.83 PLA2G2A (0.67) PLA2G2APLA2G1BPLA2G10PLA2G5PLA2G2E
SCHEMBL8504064 0.82 PLA2G2A (0.68) PLA2G2APLA2G1BPLA2G10PLA2G5PLA2G2E
SCHEMBL818717 0.80 PLA2G2A (0.83) PLA2G2APLA2G1BPLA2G10PLA2G5PLA2G2E
SCHEMBL8502268 0.80 PLA2G2A (0.67) PLA2G2APLA2G1BPLA2G10PLA2G5PLA2G2E
SCHEMBL2157074 0.80 PLA2G2A (0.77) PLA2G2APLA2G1BPLA2G10PLA2G5PLA2G2E
SCHEMBL8505094 0.79 PLA2G2A (0.70) 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5919943-A INHIBITION OF SPLA2 ELI LILLY AND COMPANY (US) 1999-07-06 US disclosed
US-5919810-A SEPTIC SHOCK ELI LILLY AND COMPANY (US) 1999-07-06 US disclosed
US-5733923-A SECRETORY PANCREATIC PHOSPHOLIPASE A2 ELI LILLY AND COMPANY (US) 1998-03-31 US disclosed