SCHEMBL8595115

SCHEMBL8595115

COc1ccccc1OCCCOc1c(C)c(C)c(C(=O)Oc2c(C)c(C)c(C(=O)O)c(OC)c2C)c(OC)c1C

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PLA2G2A P14555 3/20 0.55
PSMG3 Q9BT73 1/20 0.49
IDO1 P14902 2/20 0.48
SLC37A4 O43826 1/20 0.48
LMNA P02545 3/20 0.45
MAPT P10636 5/20 0.43
L3MBTL1 Q9Y468 3/20 0.43
HPGD P15428 2/20 0.43
MAPK1 P28482 1/20 0.43
SMN1; SMN2 Q16637 2/20 0.42
NPSR1 Q6W5P4 3/20 0.41
HSP90AA1 P07900 1/20 0.41
HTT P42858 1/20 0.41
POLB P06746 2/20 0.41
NPC1 O15118 1/20 0.40
CYP2C9 P11712 1/20 0.40
RAB9A P51151 1/20 0.40
MEN1 O00255 1/20 0.40
CYP3A4 P08684 1/20 0.40
GFER P55789 1/20 0.40

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
SCHEMBL8591659 0.92 PLA2G2A (0.56) PLA2G2APSMG3IDO1SLC37A4LMNA
SCHEMBL8591712 0.90 PLA2G2A (0.50) PLA2G2APSMG3IDO1SLC37A4L3MBTL1
SCHEMBL8625617 0.86 PLA2G2A (0.48) PLA2G2APSMG3IDO1SLC37A4SMN1; SMN2
SCHEMBL8591931 0.84 PLA2G2A (0.50) PLA2G2APSMG3IDO1SLC37A4MAPT
SCHEMBL8591400 0.83 PLA2G2A (0.59) PLA2G2APSMG3IDO1SLC37A4LMNA
SCHEMBL8594685 0.82 PLA2G2A (0.53) PLA2G2APSMG3IDO1SLC37A4LMNA
SCHEMBL8593578 0.82 PLA2G2A (0.53) PLA2G2APSMG3IDO1SLC37A4LMNA
SCHEMBL8594227 0.82 PLA2G2A (0.55) PLA2G2APSMG3IDO1SLC37A4MAPK1
SCHEMBL8592611 0.81 PLA2G2A (0.55) PLA2G2APSMG3IDO1SLC37A4MAPT
SCHEMBL8594572 0.81 PLA2G2A (0.53) PLA2G2APSMG3IDO1SLC37A4LMNA

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0646569-B1 Novel carboxylate derivatives exhibiting phospholipase A2 inhibitory activity SHIONOGI & CO (JP) 1998-01-07 EP disclosed
EP-0646569-A1 Novel carboxylate derivatives exhibiting phospholipase A2 inhibitory activity SHIONOGI & CO., LTD. (JP) 1995-04-05 EP disclosed