SCHEMBL9566910

SCHEMBL9566910

COc1[c]c(C)c(C(=O)Oc2c(C)c(O)cc(C)c2C(=O)Oc2c(C)c(C)c(C(=O)Oc3c(C)c(C)c(C(=O)O)c(OC)c3C)c(OC)c2C)c(OC)c1C

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 2/20 0.58
SLC37A4 O43826 1/20 0.58
PLA2G2A P14555 3/20 0.54
PSMG3 Q9BT73 1/20 0.48
KMT2A Q03164 4/20 0.44
POLB P06746 4/20 0.44
MEN1 O00255 3/20 0.44
CYP3A4 P08684 3/20 0.44
MAPT P10636 3/20 0.44
HPGD P15428 2/20 0.44
TDP1 Q9NUW8 2/20 0.44
GFER P55789 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
ALDH1A1 P00352 2/20 0.34
MAPK1 P28482 2/20 0.34
ALOX15 P16050 1/20 0.34
HSD17B10 Q99714 1/20 0.34
KDM4E B2RXH2 2/20 0.33
CASP1 P29466 1/20 0.33
GAA P10253 1/20 0.31

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
SCHEMBL9566948 0.86 IDO1 (0.64) IDO1SLC37A4PLA2G2APSMG3KMT2A
SCHEMBL29454426 0.81 IDO1 (0.83) IDO1SLC37A4PLA2G2APSMG3KMT2A
SCHEMBL20313458 0.80 IDO1 (0.74) IDO1SLC37A4PLA2G2APSMG3KMT2A
SCHEMBL29711773 0.73 SLC37A4 (1.00) IDO1SLC37A4PLA2G2APSMG3KMT2A
Thielocin B3 SCHEMBL29711143 0.70 PLA2G2A (1.00) IDO1SLC37A4PLA2G2APSMG3KMT2A
SCHEMBL30510662 0.69 PSMG3 (0.76) IDO1SLC37A4PLA2G2APSMG3KMT2A
SCHEMBL8855414 0.68 PSMG3 (0.61) IDO1SLC37A4PLA2G2APSMG3KMT2A
SCHEMBL8855515 0.68 PSMG3 (0.61) IDO1SLC37A4PLA2G2APSMG3KMT2A
SCHEMBL8855442 0.67 PLA2G2A (0.63) IDO1SLC37A4PLA2G2APSMG3KMT2A
SCHEMBL18677493 0.65 POLB (0.47) IDO1SLC37A4KMT2APOLBMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0547231-A1 PHOSPHOLIPASE A2 INHIBITOR SHIONOGI & CO., LTD. (JP) 1993-06-23 EP disclosed