SCHEMBL7014634

SCHEMBL7014634

CCc1cc2c(OCc3ccccc3)cccn2c1Cc1sccc1-c1cccs1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PLA2G1B P04054 5/20 0.40
C5AR1 P21730 1/20 0.39
BAZ2B Q9UIF8 1/20 0.36
BAZ2A Q9UIF9 1/20 0.36
PTGER1 P34995 4/20 0.35
ATP4A P20648 3/20 0.35
ATP4B P51164 3/20 0.35
ALK Q9UM73 1/20 0.35
CYP1A2 P05177 3/20 0.34
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
CYP3A4 P08684 2/20 0.34
CYP2C9 P11712 2/20 0.34
CYP2D6 P10635 1/20 0.34
MAPK1 P28482 1/20 0.34
BLM P54132 1/20 0.34
PMP22 Q01453 1/20 0.34
HDAC6 Q9UBN7 1/20 0.34
PTGER4 P35408 3/20 0.33
PTGER3 P43115 3/20 0.33

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
SCHEMBL7095537 0.85 C5AR1 (0.40) PLA2G1BC5AR1BAZ2BBAZ2APTGER1
SCHEMBL7139620 0.82 PTGER1 (0.39) PLA2G1BC5AR1BAZ2BBAZ2APTGER1
SCHEMBL7011597 0.81 ATP4A (0.44) PLA2G1BATP4AATP4BCYP1A2MEN1
SCHEMBL7006857 0.79 PLA2G1B (0.63) PLA2G1B
SCHEMBL7006186 0.78 PLA2G1B (0.48) PLA2G1BATP4AATP4BCYP1A2MEN1
SCHEMBL7010500 0.77 PLA2G1B (0.55) PLA2G1BPTGER1PTGER4PTGER3PTGER2
SCHEMBL7010964 0.77 PLA2G1B (0.47) PLA2G1BATP4AATP4BCYP1A2MEN1
SCHEMBL7014295 0.75 PLA2G1B (0.49) PLA2G1BATP4AATP4BCYP1A2MEN1
SCHEMBL8325750 0.74 ATP4A (0.38) PLA2G1BPTGER1ATP4AATP4BCYP1A2
SCHEMBL7013035 0.74 ABCB1 (0.52) PLA2G1BATP4AATP4B

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 6 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
CN-1158121-A Indolizine sPLA2Inhibitors LILLY CO ELI (US) 1997-08-27 CN 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