SCHEMBL9566948

SCHEMBL9566948

COc1[c]c(C)c(C(=O)Oc2cc(C)c(C(=O)Oc3c(C)c(C)c(C(=O)Oc4c(C)c(C)c(C(=O)O)c(OC)c4C)c(OC)c3C)c(O)c2C)c(OC)c1C

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 2/20 0.64
SLC37A4 O43826 2/20 0.64
CYP3A4 P08684 5/20 0.58
KMT2A Q03164 4/20 0.58
MEN1 O00255 3/20 0.58
POLB P06746 3/20 0.58
MAPT P10636 2/20 0.58
TDP1 Q9NUW8 2/20 0.58
HPGD P15428 2/20 0.58
GFER P55789 1/20 0.58
NPSR1 Q6W5P4 1/20 0.58
PLA2G2A P14555 3/20 0.55
PSMG3 Q9BT73 1/20 0.52
ALDH1A1 P00352 2/20 0.44
KDM4E B2RXH2 1/20 0.44
CASP1 P29466 1/20 0.44
PTGES O14684 1/20 0.41
PTPN1 P18031 1/20 0.41
ALOX15 P16050 1/20 0.31
MAPK1 P28482 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
SCHEMBL9566910 0.86 IDO1 (0.58) IDO1SLC37A4CYP3A4KMT2AMEN1
SCHEMBL29454426 0.79 IDO1 (0.83) IDO1SLC37A4CYP3A4KMT2AMEN1
SCHEMBL29711773 0.78 SLC37A4 (1.00) IDO1SLC37A4CYP3A4KMT2AMEN1
SCHEMBL20313458 0.76 IDO1 (0.74) IDO1SLC37A4CYP3A4KMT2AMEN1
SCHEMBL18621792 0.75 CYP3A4 (0.87) IDO1SLC37A4CYP3A4KMT2AMEN1
SCHEMBL31644226 0.75 IDO1 (0.65) IDO1SLC37A4CYP3A4KMT2AMEN1
Diffractaic Acid SCHEMBL3459615 0.74 CYP3A4 (1.00) IDO1SLC37A4CYP3A4KMT2AMEN1
SCHEMBL18622144 0.74 CYP3A4 (0.84) IDO1SLC37A4CYP3A4KMT2AMEN1
SCHEMBL29662753 0.74 CYP3A4 (0.84) IDO1SLC37A4CYP3A4KMT2AMEN1
SCHEMBL29662752 0.74 CYP3A4 (0.84) IDO1SLC37A4CYP3A4KMT2AMEN1

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