SCHEMBL8300742

SCHEMBL8300742

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

nearest known ligand 0.75

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PLA2G2A P14555 10/20 0.75
KDM4E B2RXH2 1/20 0.62
HSD17B10 Q99714 1/20 0.62
PTGS1 P23219 1/20 0.55
AKR1C3 P42330 1/20 0.55
AKR1C2 P52895 1/20 0.55
PLA2G1B P04054 1/20 0.52
CNR2 P34972 1/20 0.52
MEN1 O00255 1/20 0.50
RGS12 O14924 1/20 0.50
ALDH1A1 P00352 1/20 0.50
LMNA P02545 1/20 0.50
CYP1A2 P05177 1/20 0.50
CYP3A4 P08684 1/20 0.50
MAPT P10636 1/20 0.50
CYP2C9 P11712 1/20 0.50
PKM P14618 1/20 0.50
TSHR P16473 1/20 0.50
NFKB1 P19838 1/20 0.50
MAPK1 P28482 1/20 0.50

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
SCHEMBL7952654 0.89 PLA2G2A (0.82) PLA2G2AKDM4EHSD17B10AKR1C3AKR1C2
SCHEMBL9371452 0.89 PLA2G2A (0.82) PLA2G2AKDM4EHSD17B10AKR1C3AKR1C2
SCHEMBL7964650 0.86 PLA2G2A (1.00) PLA2G2AKDM4EHSD17B10
SCHEMBL7961727 0.86 PLA2G2A (1.00) PLA2G2AKDM4EHSD17B10
SCHEMBL7963463 0.86 PLA2G2A (1.00) PLA2G2AKDM4EHSD17B10
SCHEMBL7953737 0.86 PLA2G2A (1.00) PLA2G2AKDM4EHSD17B10
SCHEMBL8300469 0.83 PLA2G2A (0.80) PLA2G2AKDM4EHSD17B10AKR1C3AKR1C2
SCHEMBL7963668 0.83 PLA2G2A (0.78) PLA2G2AKDM4EHSD17B10PLA2G1BCNR2
SCHEMBL7962129 0.83 PLA2G2A (0.78) PLA2G2AKDM4EHSD17B10PLA2G1BCNR2
SCHEMBL7961629 0.83 PLA2G2A (0.78) PLA2G2AKDM4EHSD17B10PLA2G1BCNR2

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