SCHEMBL7006657

SCHEMBL7006657

CCCC(CCC)C(=O)c1c(CC)cc2c(OCc3ccccc3)cccn12

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PLA2G1B P04054 6/20 0.39
ATP4A P20648 2/20 0.39
ATP4B P51164 2/20 0.39
PSEN1 P49768 3/20 0.38
PSEN2 P49810 3/20 0.38
APH1B Q8WW43 3/20 0.38
NCSTN Q92542 3/20 0.38
APH1A Q96BI3 3/20 0.38
PSENEN Q9NZ42 3/20 0.38
MRGPRX4 Q96LA9 1/20 0.38
BRD4 O60885 1/20 0.38
FOLH1 Q04609 1/20 0.37
ALDH1A1 P00352 1/20 0.37
PTGER1 P34995 1/20 0.37
PTGER4 P35408 1/20 0.37
PTGER3 P43115 1/20 0.37
PTGER2 P43116 1/20 0.37
NPC1 O15118 1/20 0.37
HPGD P15428 1/20 0.37
RAB9A P51151 1/20 0.37

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
SCHEMBL7014844 0.82 ATM (0.48) PLA2G1BATP4AATP4BMRGPRX4ALDH1A1
SCHEMBL7013814 0.82 ATP4A (0.42) PLA2G1BATP4AATP4BPSEN1PSEN2
SCHEMBL7014249 0.79 ATP4A (0.40) PLA2G1BATP4AATP4BPSEN1PSEN2
SCHEMBL7016240 0.78 ATM (0.44) PLA2G1BATP4AATP4BPSEN1PSEN2
SCHEMBL7006648 0.77 PLA2G1B (0.44) PLA2G1BATP4AATP4BFOLH1ALDH1A1
SCHEMBL7009138 0.77 ALDH1A1 (0.42) PLA2G1BATP4AATP4BPSEN1PSEN2
SCHEMBL7013840 0.77 PLA2G1B (0.47) PLA2G1BATP4AATP4BPTGER1PTGER4
SCHEMBL7011444 0.77 ATP4A (0.43) PLA2G1BATP4AATP4BMRGPRX4NPC1
SCHEMBL7013513 0.77 SGMS2 (0.43) PLA2G1BATP4AATP4BPSEN1PSEN2
SCHEMBL7011107 0.77 SGMS2 (0.43) PLA2G1BATP4AATP4BPSEN1PSEN2

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