SCHEMBL7006648

SCHEMBL7006648

CCc1cc2c(OCc3ccccc3)cccn2c1C(=O)c1ccccc1Cc1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PLA2G1B P04054 6/20 0.44
ATP4A P20648 2/20 0.43
ATP4B P51164 2/20 0.43
PTGER1 P34995 2/20 0.39
FOLH1 Q04609 1/20 0.39
ALDH1A1 P00352 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2D6 P10635 1/20 0.39
MAPT P10636 1/20 0.39
CYP2C9 P11712 1/20 0.39
TSHR P16473 1/20 0.39
NFKB1 P19838 1/20 0.39
CYP2C19 P33261 1/20 0.39
BLM P54132 1/20 0.39
PMP22 Q01453 1/20 0.39
HIF1A Q16665 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
SCN1A P35498 1/20 0.39

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
SCHEMBL7013840 0.86 PLA2G1B (0.47) PLA2G1BATP4AATP4BPTGER1
SCHEMBL7014844 0.85 ATM (0.48) PLA2G1BATP4AATP4BPTGER1ALDH1A1
SCHEMBL7005971 0.85 MRGPRX4 (0.45) PLA2G1BATP4AATP4BALDH1A1CYP1A2
SCHEMBL8320616 0.85 MRGPRX4 (0.45) PLA2G1BATP4AATP4BPTGER1
SCHEMBL7006186 0.83 PLA2G1B (0.48) PLA2G1BATP4AATP4BFOLH1CYP1A2
SCHEMBL7011597 0.82 ATP4A (0.44) PLA2G1BATP4AATP4BCYP1A2CYP3A4
SCHEMBL7016240 0.82 ATM (0.44) PLA2G1BATP4AATP4BPTGER1
SCHEMBL7013814 0.81 ATP4A (0.42) PLA2G1BATP4AATP4BPTGER1ALDH1A1
SCHEMBL7011444 0.80 ATP4A (0.43) PLA2G1BATP4AATP4BCYP1A2CYP3A4
SCHEMBL7006665 0.79 PLA2G1B (0.43) PLA2G1BATP4AATP4BPTGER1CYP1A2

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