SCHEMBL7961629

SCHEMBL7961629

CCCCCCCCCCCCCCn1c(C)c(CC(=O)OCC)c2cc(OC)ccc21

nearest known ligand 0.78

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PLA2G2A P14555 8/20 0.78
KDM4E B2RXH2 1/20 0.59
HSD17B10 Q99714 1/20 0.59
PTGS2 P35354 8/20 0.58
PLA2G1B P04054 1/20 0.52
CNR2 P34972 2/20 0.52
PSEN1 P49768 1/20 0.51
PSEN2 P49810 1/20 0.51
APH1B Q8WW43 1/20 0.51
NCSTN Q92542 1/20 0.51
APH1A Q96BI3 1/20 0.51
PSENEN Q9NZ42 1/20 0.51

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
SCHEMBL7963668 1.00 PLA2G2A (0.78) PLA2G2AKDM4EHSD17B10PTGS2PLA2G1B
SCHEMBL7962129 1.00 PLA2G2A (0.78) PLA2G2AKDM4EHSD17B10PTGS2PLA2G1B
SCHEMBL7962226 1.00 PLA2G2A (0.78) PLA2G2AKDM4EHSD17B10PTGS2PLA2G1B
SCHEMBL8300469 0.92 PLA2G2A (0.80) PLA2G2AKDM4EHSD17B10PTGS2PLA2G1B
SCHEMBL9371452 0.89 PLA2G2A (0.82) PLA2G2AKDM4EHSD17B10PTGS2PLA2G1B
SCHEMBL7952654 0.89 PLA2G2A (0.82) PLA2G2AKDM4EHSD17B10PTGS2PLA2G1B
SCHEMBL7961727 0.88 PLA2G2A (1.00) PLA2G2AKDM4EHSD17B10
SCHEMBL7964650 0.88 PLA2G2A (1.00) PLA2G2AKDM4EHSD17B10
SCHEMBL7963463 0.88 PLA2G2A (1.00) PLA2G2AKDM4EHSD17B10
SCHEMBL7953737 0.88 PLA2G2A (1.00) PLA2G2AKDM4EHSD17B10

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
US-6252084-B1 THERAPY FOR SEPSIS SHOCK ELI LILLY AND COMPANY 2001-06-26 US disclosed
EP-0620215-B1 1H-indole-3-acetamide derivatives as sPLA2 inhibitors LILLY CO ELI (US) 1999-08-18 EP disclosed
US-5684034-A INHIBITORS OF HUMAN NON-PANCREATIC SECRETORY PHOSPHOLIPASE A2, TREATMENT OF SEPTIC SHOCK, TRAUMA, RESPIRATORY DISORDERS, RHEUMATIC ARTHRITIS, INHIBITORS OF ARACHIDONIC ACID RELEASE ELI LILLY AND COMPANY (US) 1997-11-04 US disclosed
EP-0620215-A1 1H-indole-3-acetamide derivatives as sPLA2 inhibitors ELI LILLY AND COMPANY (US) 1994-10-19 EP disclosed