SCHEMBL5387609

SCHEMBL5387609

CCOc1nn(Cc2ccc(OCc3cn4c(Cl)cccc4n3)cc2)cc1CCC(=O)O

nearest known ligand 0.40

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.40
MAPT P10636 3/20 0.40
RAB9A P51151 2/20 0.40
GAA P10253 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.39
RXFP1 Q9HBX9 1/20 0.39
FFAR1 O14842 8/20 0.38
FFAR4 Q5NUL3 2/20 0.38
LMNA P02545 1/20 0.38
AKR1B1 P15121 2/20 0.38
NPC1 O15118 1/20 0.36
ALDH1A1 P00352 1/20 0.36
PDE4B Q07343 1/20 0.36
PDE4D Q08499 1/20 0.36

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
SCHEMBL5381841 0.92 KDM4E (0.41) KDM4EMAPTRAB9AGAASMN1; SMN2
SCHEMBL5381944 0.92 MAPT (0.41) KDM4EMAPTRAB9AGAASMN1; SMN2
SCHEMBL5371988 0.90 KDM4E (0.44) KDM4EMAPTRAB9AGAAFFAR1
SCHEMBL5393683 0.88 PDE4B (0.35) KDM4EMAPTRAB9AGAASMN1; SMN2
SCHEMBL5379383 0.84 MAPT (0.40) KDM4EMAPTRAB9AGAASMN1; SMN2
SCHEMBL5387466 0.83 MAPT (0.44) KDM4EMAPTRAB9AGAASMN1; SMN2
SCHEMBL5373798 0.82 FFAR1 (0.54) FFAR1FFAR4AKR1B1
SCHEMBL5382761 0.81 FFAR1 (0.43) FFAR1FFAR4AKR1B1
SCHEMBL5379340 0.80 MAPT (0.34) KDM4EMAPTRAB9ASMN1; SMN2RXFP1
SCHEMBL5381140 0.80 FFAR1 (0.63) FFAR1AKR1B1

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