SCHEMBL7014264

SCHEMBL7014264

CCCCCc1c(CC)cc2c(OCc3ccccc3)cccn12

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PLA2G1B P04054 2/20 0.42
ATP4A P20648 3/20 0.41
ATP4B P51164 3/20 0.41
MAPK1 P28482 2/20 0.40
MEN1 O00255 1/20 0.40
CYP1A2 P05177 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2D6 P10635 1/20 0.40
CYP2C9 P11712 1/20 0.40
BLM P54132 1/20 0.40
PMP22 Q01453 1/20 0.40
KMT2A Q03164 1/20 0.40
HDAC6 Q9UBN7 1/20 0.40
BCHE P06276 2/20 0.40
HTR1A P08908 2/20 0.39
DRD2 P14416 2/20 0.39
MGLL Q99685 1/20 0.39
MAPK14 Q16539 1/20 0.39
TLR4 O00206 1/20 0.38
TLR3 O15455 1/20 0.38

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
SCHEMBL7011597 0.85 ATP4A (0.44) PLA2G1BATP4AATP4BMAPK1MEN1
SCHEMBL7014370 0.82 PLA2G1B (0.41) PLA2G1BATP4AATP4BMAPK1MEN1
SCHEMBL7006186 0.82 PLA2G1B (0.48) PLA2G1BATP4AATP4BMAPK1MEN1
SCHEMBL7014249 0.82 ATP4A (0.40) PLA2G1BATP4AATP4BMAPK1MEN1
SCHEMBL7013631 0.81 ATP4A (0.42) PLA2G1BATP4AATP4BMAPK1MEN1
SCHEMBL8321751 0.81 L3MBTL1 (0.46) PLA2G1BATP4AATP4BMAPK1MEN1
SCHEMBL7010964 0.81 PLA2G1B (0.47) PLA2G1BATP4AATP4BMAPK1MEN1
SCHEMBL7014295 0.79 PLA2G1B (0.49) PLA2G1BATP4AATP4BMAPK1MEN1
SCHEMBL7011801 0.79 PLA2G1B (0.45) PLA2G1BATP4AATP4BMAPK1MEN1
SCHEMBL7010500 0.79 PLA2G1B (0.55) PLA2G1BPTGER1PTGER4PTGER3PTGER2

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 5 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
EP-0772596-A4 INDOLIZINE sPLA2 INHIBITORS LILLY CO ELI (US) 1999-01-13 EP disclosed
EP-0772596-A1 INDOLIZINE sPLA2 INHIBITORS ELI LILLY AND COMPANY (US) 1997-05-14 EP disclosed
WO-1996003383-A1 INDOLIZINE sPLA2 INHIBITORS ELI LILLY AND COMPANY (US) 1996-02-08 WO disclosed