SCHEMBL8300469

SCHEMBL8300469

CCCCCCCCCCCCCCCCCCn1c(C)c(CC(=O)OC)c2cc(OC)ccc21

nearest known ligand 0.80

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PLA2G2A P14555 8/20 0.80
KDM4E B2RXH2 1/20 0.60
HSD17B10 Q99714 1/20 0.60
AKR1C3 P42330 3/20 0.58
AKR1C2 P52895 1/20 0.56
PTGS2 P35354 5/20 0.54
CNR2 P34972 3/20 0.54
CNR1 P21554 2/20 0.54
HDAC3 O15379 3/20 0.53
HDAC1 Q13547 3/20 0.53
HDAC2 Q92769 3/20 0.53
HDAC8 Q9BY41 3/20 0.53
HDAC6 Q9UBN7 3/20 0.53
PLA2G1B P04054 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
SCHEMBL7963668 0.92 PLA2G2A (0.78) PLA2G2AKDM4EHSD17B10PTGS2CNR2
SCHEMBL7961629 0.92 PLA2G2A (0.78) PLA2G2AKDM4EHSD17B10PTGS2CNR2
SCHEMBL7962129 0.92 PLA2G2A (0.78) PLA2G2AKDM4EHSD17B10PTGS2CNR2
SCHEMBL7962226 0.92 PLA2G2A (0.78) PLA2G2AKDM4EHSD17B10PTGS2CNR2
SCHEMBL9371452 0.90 PLA2G2A (0.82) PLA2G2AKDM4EHSD17B10AKR1C3AKR1C2
SCHEMBL7952654 0.90 PLA2G2A (0.82) PLA2G2AKDM4EHSD17B10AKR1C3AKR1C2
SCHEMBL7964650 0.89 PLA2G2A (1.00) PLA2G2AKDM4EHSD17B10
SCHEMBL7963463 0.89 PLA2G2A (1.00) PLA2G2AKDM4EHSD17B10
SCHEMBL7961727 0.89 PLA2G2A (1.00) PLA2G2AKDM4EHSD17B10
SCHEMBL7953737 0.89 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 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