SCHEMBL5377296

SCHEMBL5377296

O=C(O)C=Cc1cn(Cc2cc(OCc3ccccc3)cc(OCc3ccccc3)c2)cc1-c1ccccc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGER3 P43115 4/20 0.51
PTGER4 P35408 4/20 0.51
PTGER2 P43116 4/20 0.51
PTGER1 P34995 3/20 0.51
ALDH1A1 P00352 2/20 0.49
KDM4E B2RXH2 2/20 0.49
PKM P14618 1/20 0.49
PTGDR Q13258 1/20 0.47
BACE1 P56817 1/20 0.47
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
GAA P10253 1/20 0.44
AKR1C3 P42330 1/20 0.43
AKR1C2 P52895 1/20 0.43
P2RY14 Q15391 1/20 0.42
LTB4R Q15722 1/20 0.42
LTB4R2 Q9NPC1 1/20 0.42
PLA2G2D Q9UNK4 1/20 0.41
GSTP1 P09211 1/20 0.40
PTGS1 P23219 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
SCHEMBL5377289 1.00 PTGER3 (0.51) PTGER3PTGER4PTGER2PTGER1ALDH1A1
SCHEMBL6592132 0.90 PTGER3 (0.51) PTGER3PTGER4PTGER2PTGER1ALDH1A1
SCHEMBL6592125 0.90 PTGER3 (0.51) PTGER3PTGER4PTGER2PTGER1ALDH1A1
SCHEMBL6595111 0.88 PTGER3 (0.61) PTGER3PTGER4PTGER2PTGER1ALDH1A1
SCHEMBL6595113 0.88 PTGER3 (0.61) PTGER3PTGER4PTGER2PTGER1ALDH1A1
SCHEMBL5377058 0.88 BACE1 (0.43) PTGER3PTGER4PTGER2PTGER1BACE1
SCHEMBL5393626 0.85 GSTP1 (0.45) BACE1MEN1KMT2AP2RY14GSTP1
SCHEMBL7491027 0.81 MEN1 (0.51) MEN1KMT2AP2RY14GSTP1
SCHEMBL5377062 0.81 LTB4R (0.46) BACE1MEN1KMT2AP2RY14LTB4R
SCHEMBL5382756 0.79 MEN1 (0.43) PTGER4PTGER2KDM4EMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7179823-B1 5-membered n-heterocyclic compounds with hypoglycemic and hypolipidemic activity TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2007-02-20 US disclosed
EP-1457490-A1 5-membered N-heterocyclic compounds with hypoglycemic and hypolipidemic activity Takeda Chemical Industries, Ltd. (JP) 2004-09-15 EP disclosed
EP-1228067-B1 5-MEMBERED N-HETEROCYCLIC COMPOUNDS WITH HYPOGLYCEMIC AND HYPOLIPIDEMIC ACTIVITY TAKEDA CHEMICAL INDUSTRIES LTD (JP) 2004-07-14 EP disclosed
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