SCHEMBL7952654

SCHEMBL7952654

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

nearest known ligand 0.82

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PLA2G2A P14555 8/20 0.82
PLA2G1B P04054 1/20 0.65
KDM4E B2RXH2 2/20 0.65
HSD17B10 Q99714 1/20 0.65
LMNA P02545 3/20 0.63
CYP1A2 P05177 3/20 0.63
CYP2C9 P11712 3/20 0.63
TSHR P16473 3/20 0.63
CYP3A4 P08684 2/20 0.63
CYP2C19 P33261 2/20 0.63
PMP22 Q01453 2/20 0.63
NFKB1 P19838 2/20 0.63
HIF1A Q16665 2/20 0.63
MEN1 O00255 1/20 0.63
RGS12 O14924 1/20 0.63
ALDH1A1 P00352 1/20 0.63
MAPT P10636 1/20 0.63
PKM P14618 1/20 0.63
MAPK1 P28482 1/20 0.63
GNAI1 P63096 1/20 0.63

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
SCHEMBL9371452 1.00 PLA2G2A (0.82) PLA2G2APLA2G1BKDM4EHSD17B10LMNA
SCHEMBL8300469 0.90 PLA2G2A (0.80) PLA2G2APLA2G1BKDM4EHSD17B10PTGS2
SCHEMBL7961727 0.90 PLA2G2A (1.00) PLA2G2AKDM4EHSD17B10
SCHEMBL7953737 0.90 PLA2G2A (1.00) PLA2G2AKDM4EHSD17B10
SCHEMBL7963463 0.90 PLA2G2A (1.00) PLA2G2AKDM4EHSD17B10
SCHEMBL7964650 0.90 PLA2G2A (1.00) PLA2G2AKDM4EHSD17B10
SCHEMBL7962129 0.89 PLA2G2A (0.78) PLA2G2APLA2G1BKDM4EHSD17B10PTGS2
SCHEMBL7963668 0.89 PLA2G2A (0.78) PLA2G2APLA2G1BKDM4EHSD17B10PTGS2
SCHEMBL7961629 0.89 PLA2G2A (0.78) PLA2G2APLA2G1BKDM4EHSD17B10PTGS2
SCHEMBL8300742 0.89 PLA2G2A (0.75) PLA2G2APLA2G1BKDM4EHSD17B10LMNA

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