SCHEMBL8300554

SCHEMBL8300554

CCCCCCCCCCOc1cccc(Cn2c(C)c(CC(=O)OCC)c3cc(OC)ccc32)c1

nearest known ligand 0.76

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
PLA2G2A P14555 15/20 0.76
PLA2G1B P04054 1/20 0.57
PTGS2 P35354 3/20 0.56

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
SCHEMBL8292855 0.91 PLA2G2A (0.73) PLA2G2APLA2G1BPTGS2
SCHEMBL8296740 0.88 PLA2G2A (0.81) PLA2G2A
SCHEMBL8291679 0.88 PLA2G2A (0.76) PLA2G2APLA2G1B
SCHEMBL8301080 0.85 PLA2G2A (0.66) PLA2G2APLA2G1BPTGS2
SCHEMBL8301180 0.84 PLA2G2A (0.74) PLA2G2APLA2G1BPTGS2
SCHEMBL7962081 0.84 PLA2G2A (0.80) PLA2G2APLA2G1BPTGS2
SCHEMBL7962138 0.83 PLA2G2A (0.79) PLA2G2APLA2G1BPTGS2
SCHEMBL8292902 0.83 PLA2G2A (0.76) PLA2G2APLA2G1BPTGS2
SCHEMBL8978243 0.83 PLA2G2A (0.66) PLA2G2APLA2G1BPTGS2
SCHEMBL8292514 0.83 PLA2G2A (0.75) PLA2G2APLA2G1BPTGS2

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
EP-0620214-B1 1H-indole-3-acetic acid hydrazide sPLA2 inhibitors LILLY CO ELI (US) 1999-03-03 EP disclosed
US-5578634-A SEPTIC SHOCK TREATMENT ELI LILLY AND COMPANY (US) 1996-11-26 US disclosed
EP-0620214-A1 1H-indole-3-acetic acid hydrazide sPLA2 inhibitors ELI LILLY AND COMPANY (US) 1994-10-19 EP disclosed