SCHEMBL7095537

SCHEMBL7095537

CCc1cc2c(OCc3ccccc3)cccn2c1-c1sccc1-c1cccs1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
C5AR1 P21730 1/20 0.40
BAZ2B Q9UIF8 1/20 0.37
BAZ2A Q9UIF9 1/20 0.37
PTGER1 P34995 9/20 0.36
ALK Q9UM73 1/20 0.36
CYP1A2 P05177 3/20 0.36
ALDH1A1 P00352 2/20 0.36
CASP1 P29466 1/20 0.36
CASP7 P55210 1/20 0.36
HIF1A Q16665 1/20 0.36
HSD17B10 Q99714 1/20 0.36
PLA2G1B P04054 2/20 0.35
ATP4A P20648 2/20 0.35
ATP4B P51164 2/20 0.35
TBXA2R P21731 5/20 0.35
CYP2C9 P11712 2/20 0.35
CYP2C19 P33261 2/20 0.35
KDM4E B2RXH2 1/20 0.35
HPGD P15428 1/20 0.35
APOBEC3G Q9HC16 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
SCHEMBL7139620 0.90 PTGER1 (0.39) C5AR1BAZ2BBAZ2APTGER1ALK
SCHEMBL7014634 0.85 PLA2G1B (0.40) C5AR1BAZ2BBAZ2APTGER1ALK
SCHEMBL8325750 0.76 ATP4A (0.38) PTGER1CYP1A2ALDH1A1PLA2G1BATP4A
SCHEMBL7011597 0.72 ATP4A (0.44) CYP1A2PLA2G1BATP4AATP4BCYP2C9
SCHEMBL7014844 0.69 ATM (0.48) PTGER1CYP1A2ALDH1A1PLA2G1BATP4A
SCHEMBL7006186 0.69 PLA2G1B (0.48) CYP1A2PLA2G1BATP4AATP4BCYP2C9
SCHEMBL7013814 0.69 ATP4A (0.42) PTGER1CYP1A2ALDH1A1PLA2G1BATP4A
SCHEMBL7014264 0.68 PLA2G1B (0.42) PTGER1CYP1A2PLA2G1BATP4AATP4B
SCHEMBL7010500 0.68 PLA2G1B (0.55) PTGER1PLA2G1BPTGER4PTGER3PTGER2
SCHEMBL7006857 0.68 PLA2G1B (0.63) 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 3 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
CN-1158121-A Indolizine sPLA2Inhibitors LILLY CO ELI (US) 1997-08-27 CN disclosed