SCHEMBL7013364

SCHEMBL7013364

CCc1cc2c(OCC(=O)OC)cccn2c1C/C=C/c1ccccc1

nearest known ligand 0.63

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PLA2G1B P04054 11/20 0.63
KDM4E B2RXH2 3/20 0.38
ALDH1A1 P00352 3/20 0.38
MAPT P10636 3/20 0.38
MEN1 O00255 3/20 0.38
KMT2A Q03164 3/20 0.38
RECQL P46063 1/20 0.38
TP53 P04637 1/20 0.38
CYP3A4 P08684 1/20 0.38
ALOX15 P16050 1/20 0.38
HTT P42858 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
NPC1 O15118 1/20 0.35
LMNA P02545 1/20 0.35

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
SCHEMBL7013371 1.00 PLA2G1B (0.63) PLA2G1BKDM4EALDH1A1MAPTMEN1
SCHEMBL7013828 0.78 PLA2G1B (0.67) PLA2G1B
SCHEMBL7007813 0.77 PLA2G1B (0.66) PLA2G1BKDM4EALDH1A1MAPTMEN1
SCHEMBL8022570 0.75 PLA2G1B (0.48) PLA2G1BKDM4EALDH1A1MAPTMEN1
SCHEMBL7015597 0.73 PLA2G1B (0.54) PLA2G1BKDM4EALDH1A1MAPTMEN1
SCHEMBL8012905 0.72 PLA2G1B (0.60) PLA2G1B
SCHEMBL8028219 0.72 PLA2G1B (0.55) PLA2G1BKDM4EALDH1A1MEN1KMT2A
SCHEMBL8024688 0.71 PLA2G1B (0.57) PLA2G1B
SCHEMBL8028089 0.69 PLA2G1B (0.54) PLA2G1BKDM4EALDH1A1MAPTMEN1
SCHEMBL8022769 0.68 PLA2G1B (0.66) PLA2G1B

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6645976-B1 Nonpancreatic secretory phospholipase (sPLA2) supressors such as 2-(3-Benzyl-8-hydroxy-2-ethylindolizin-1-yl)acetamide, administered to control release of fatty acid and prevent the arachidonic acid cascade; septic shock ELI LILLY AND COMPANY 2003-11-11 US disclosed
EP-0772596-B1 INDOLIZINE sPLA2 INHIBITORS LILLY CO ELI (US) 2003-10-01 EP disclosed