SCHEMBL6589707

SCHEMBL6589707

O=C(CC(=O)OCc1cn(Cc2ccc(OCc3coc(-c4ccccc4)n3)cc2)nc1-c1cccs1)OCc1cn(Cc2ccc(OCc3coc(-c4ccccc4)n3)cc2)nc1-c1cccs1

nearest known ligand 0.49

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 4/20 0.49
PPARA Q07869 9/20 0.45
PPARG P37231 6/20 0.45
KDM4E B2RXH2 1/20 0.40
ALDH1A1 P00352 1/20 0.40
POLB P06746 5/20 0.39
RXFP1 Q9HBX9 3/20 0.39
LMNA P02545 1/20 0.39
MAPT P10636 3/20 0.38
MGAM O43451 1/20 0.36
GAA P10253 1/20 0.36
SI P14410 1/20 0.36
MGAM2 Q2M2H8 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
SCHEMBL6589710 0.98 FFAR1 (0.50) FFAR1PPARAPPARGKDM4EALDH1A1
SCHEMBL5379026 0.89 FFAR1 (0.48) FFAR1PPARAPPARGKDM4EALDH1A1
SCHEMBL5385319 0.88 PPARA (0.49) FFAR1PPARAPPARGKDM4EALDH1A1
SCHEMBL5377697 0.88 FFAR1 (0.61) FFAR1PPARAPPARGKDM4EALDH1A1
SCHEMBL5377119 0.87 ALDH1A1 (0.45) PPARAKDM4EALDH1A1POLBRXFP1
SCHEMBL7546657 0.86 PPARA (0.46) FFAR1PPARAPPARGKDM4EALDH1A1
SCHEMBL5377121 0.85 ALDH1A1 (0.44) PPARAPPARGKDM4EALDH1A1POLB
SCHEMBL6829766 0.85 FFAR1 (0.50) FFAR1PPARAPPARGMAPT
SCHEMBL5397484 0.84 FFAR1 (0.48) FFAR1PPARAPPARGKDM4EALDH1A1
SCHEMBL6829769 0.84 FFAR1 (0.51) FFAR1PPARAPPARGMAPT

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-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