SCHEMBL7539595

SCHEMBL7539595

COc1cn(Cc2cc(OCc3ccccc3)cc(OCc3ccccc3)c2)cc1-c1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAOB P27338 1/20 0.47
MGAM O43451 4/20 0.43
GAA P10253 4/20 0.43
SI P14410 4/20 0.43
MGAM2 Q2M2H8 4/20 0.43
PIN1 Q13526 1/20 0.43
GSTP1 P09211 2/20 0.42
PDGFRB P09619 1/20 0.41
PDGFRA P16234 1/20 0.41
REV1 Q9UBZ9 1/20 0.41
CD274 Q9NZQ7 3/20 0.40
HSP90AA1 P07900 1/20 0.40
ERN1 O75460 1/20 0.40
BCHE P06276 1/20 0.40
ABCB1 P08183 1/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 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
SCHEMBL7549200 0.89 REV1 (0.49) MGAMGAASIMGAM2GSTP1
SCHEMBL7541818 0.86 ALOX5 (0.48) MAOBMGAMGAASIMGAM2
SCHEMBL5382756 0.81 MEN1 (0.43) MAOBPIN1GSTP1CD274HSP90AA1
SCHEMBL5383065 0.80 MEN1 (0.44) MAOBGSTP1MEN1KMT2A
SCHEMBL5393626 0.80 GSTP1 (0.45) MAOBPIN1GSTP1ERN1BCHE
SCHEMBL7491027 0.79 MEN1 (0.51) GSTP1MEN1KMT2A
SCHEMBL28080889 0.76 GSTP1 (0.55) MAOBGAAGSTP1BCHEMEN1
SCHEMBL5377289 0.75 PTGER3 (0.51) GAAGSTP1MEN1KMT2A
SCHEMBL5377296 0.75 PTGER3 (0.51) GAAGSTP1MEN1KMT2A
SCHEMBL5377062 0.74 LTB4R (0.46) PIN1GSTP1MEN1KMT2A

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-1228067-A1 5-MEMBERED N-HETEROCYCLIC COMPOUNDS WITH HYPOGYLCEMIC AND HYPOLIPIDEMIC ACTIVITY Takeda Chemical Industries, Ltd. (JP) 2002-08-07 EP disclosed
WO-2001038325-A1 5-MEMBERED N-HETEROCYCLIC COMPOUNDS WITH HYPOGLYCEMIC AND HYPOLIPIDEMIC ACTIVITY TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 2001-05-31 WO disclosed