SCHEMBL7018281

SCHEMBL7018281

Cc1cc2c(OCc3ccccc3)cccn2c1Cc1ccccc1-c1ccccc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PLA2G1B P04054 11/20 0.49
PLA2G2A P14555 4/20 0.46
PLA2G2E Q9NZK7 3/20 0.46
PLA2G5 P39877 2/20 0.46
PLA2G10 O15496 1/20 0.46
ATP4A P20648 3/20 0.45
ATP4B P51164 3/20 0.45
MEN1 O00255 1/20 0.43
CYP1A2 P05177 1/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2D6 P10635 1/20 0.43
CYP2C9 P11712 1/20 0.43
MAPK1 P28482 1/20 0.43
BLM P54132 1/20 0.43
PMP22 Q01453 1/20 0.43
KMT2A Q03164 1/20 0.43
HDAC6 Q9UBN7 1/20 0.43
PTGER1 P34995 3/20 0.43
PTGER4 P35408 3/20 0.43
PTGER3 P43115 3/20 0.43

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
SCHEMBL7010500 0.88 PLA2G1B (0.55) PLA2G1BPLA2G2APLA2G2EPLA2G5PLA2G10
SCHEMBL7014331 0.86 ATP4A (0.49) PLA2G1BATP4AATP4BMEN1CYP1A2
SCHEMBL8324082 0.83 PLA2G1B (0.47) PLA2G1BPLA2G2APLA2G2EPLA2G5PLA2G10
SCHEMBL7006186 0.76 PLA2G1B (0.48) PLA2G1BPLA2G2APLA2G2EPLA2G5ATP4A
SCHEMBL7005959 0.75 PTGER1 (0.41) PLA2G1BATP4AATP4BMEN1CYP1A2
SCHEMBL7006708 0.74 PLA2G1B (0.82) PLA2G1BPLA2G2APLA2G2EPLA2G5PLA2G10
SCHEMBL7010964 0.74 PLA2G1B (0.47) PLA2G1BATP4AATP4BMEN1CYP1A2
SCHEMBL7011597 0.74 ATP4A (0.44) PLA2G1BATP4AATP4BMEN1CYP1A2
SCHEMBL8022769 0.74 PLA2G1B (0.66) PLA2G1BPLA2G2APLA2G2EPLA2G5PLA2G10
SCHEMBL7013840 0.73 PLA2G1B (0.47) PLA2G1BPLA2G2APLA2G2EPLA2G5ATP4A

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