SCHEMBL5382011

SCHEMBL5382011

CCOc1nn(Cc2ccnc(OCc3cn4c(-c5ccccc5)cccc4n3)c2)cc1CCC(=O)O

nearest known ligand 0.35

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.35
GAA P10253 1/20 0.35
MAPT P10636 1/20 0.35
RAB9A P51151 1/20 0.35
FFAR1 O14842 5/20 0.34
CYP2C9 P11712 1/20 0.34
KLKB1 P03952 2/20 0.32
LMNA P02545 1/20 0.32
PDE4B Q07343 1/20 0.31
PDE4D Q08499 1/20 0.31
SLC16A3 O15427 2/20 0.31
SLC16A1 P53985 2/20 0.31
POLB P06746 1/20 0.31
TP53 P04637 1/20 0.31
MDM2 Q00987 1/20 0.31
MCTS1 Q9ULC4 1/20 0.31
RXFP1 Q9HBX9 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
SCHEMBL5382064 0.94 MAPT (0.35) KDM4EGAAMAPTRAB9AKLKB1
SCHEMBL5393683 0.89 PDE4B (0.35) KDM4EGAAMAPTRAB9AFFAR1
SCHEMBL5371988 0.88 KDM4E (0.44) KDM4EGAAMAPTRAB9AFFAR1
SCHEMBL5379340 0.82 MAPT (0.34) KDM4EMAPTRAB9AKLKB1LMNA
SCHEMBL5387466 0.81 MAPT (0.44) KDM4EGAAMAPTRAB9ALMNA
SCHEMBL5377073 0.79 FFAR1 (0.51) FFAR1
SCHEMBL5381841 0.78 KDM4E (0.41) KDM4EGAAMAPTRAB9AFFAR1
SCHEMBL5387609 0.77 KDM4E (0.40) KDM4EGAAMAPTRAB9AFFAR1
SCHEMBL7496469 0.75 HDAC1 (0.39) KDM4EGAAMAPTRAB9AFFAR1
SCHEMBL5374366 0.73 FFAR1 (0.44) MAPTFFAR1TP53

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