SCHEMBL1855488

SCHEMBL1855488

O=C(O)c1cccc(-c2cncc3cc(CO)oc23)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMO O15229 2/20 0.44
DDT P30046 1/20 0.42
EIF4EBP1 Q13541 1/20 0.41
FNTA P49354 1/20 0.40
FNTB P49356 1/20 0.40
PGGT1B P53609 1/20 0.40
PTGER1 P34995 2/20 0.40
FOLH1 Q04609 2/20 0.39
CHEK1 O14757 1/20 0.39
AXL P30530 2/20 0.39
NR1H4 Q96RI1 1/20 0.39
SLC22A12 Q96S37 1/20 0.39
MAOA P21397 1/20 0.39
BLVRB P30043 1/20 0.39
HDAC6 Q9UBN7 1/20 0.39
LDHA P00338 1/20 0.38
LDHB P07195 1/20 0.38
KEAP1 Q14145 1/20 0.38
MAP4K4 O95819 1/20 0.38
CYP3A4 P08684 1/20 0.38

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
SCHEMBL1848790 0.89 KMO (0.43) KMODDTEIF4EBP1FNTAFNTB
SCHEMBL1853489 0.74 NPC1 (0.46)
SCHEMBL16734982 0.71 PIK3CG (0.62)
SCHEMBL3212711 0.68 GPR52 (0.55) EIF4EBP1PTGER1CYP3A4CYP2C9
SCHEMBL1855057 0.68 GPR52 (0.54) KMOEIF4EBP1PTGER1FOLH1MAOA
SCHEMBL29725579 0.67 KMO (0.74) KMODDTCHEK1AXLKEAP1
SCHEMBL29911642 0.67 KMO (0.74) KMODDTCHEK1AXLKEAP1
SCHEMBL382724 0.67 KMO (0.70) KMODDTFNTAFNTBPTGER1
SCHEMBL16749639 0.67 KMO (0.69) KMODDTFOLH1KEAP1CYP2C9
SCHEMBL29386545 0.67 KMO (0.69) KMODDTFOLH1KEAP1CYP2C9

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-2323978-A1 AMIDE COMPOUND Takeda Pharmaceutical Company Limited (JP) 2011-05-25 EP disclosed
WO-2010018874-A1 AMIDE COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-02-18 WO disclosed