SCHEMBL7546664

SCHEMBL7546664

CCC(c1cn(Cc2ccc(OCc3coc(-c4ccccc4)n3)cc2)nc1-c1cccs1)C(CC)(C(=O)O)C(=O)O

nearest known ligand 0.45

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 13/20 0.45
PPARG P37231 10/20 0.45
FFAR1 O14842 4/20 0.45
ALDH1A1 P00352 2/20 0.37
KDM4E B2RXH2 1/20 0.37
PPARD Q03181 3/20 0.35
KMT2A Q03164 1/20 0.34
MGAM O43451 1/20 0.34
GAA P10253 1/20 0.34
SI P14410 1/20 0.34
MGAM2 Q2M2H8 1/20 0.34

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
SCHEMBL7540604 0.88 ALDH1A1 (0.42) PPARAPPARGFFAR1ALDH1A1KDM4E
SCHEMBL7547501 0.87 PPARA (0.49) PPARAPPARGFFAR1PPARD
SCHEMBL5385326 0.84 FFAR1 (0.49) PPARAPPARGFFAR1ALDH1A1KDM4E
SCHEMBL7546654 0.84 PPARA (0.47) PPARAPPARGFFAR1ALDH1A1KDM4E
SCHEMBL5397484 0.82 FFAR1 (0.48) PPARAPPARGFFAR1ALDH1A1KDM4E
SCHEMBL5385319 0.82 PPARA (0.49) PPARAPPARGFFAR1ALDH1A1KDM4E
SCHEMBL7546657 0.81 PPARA (0.46) PPARAPPARGFFAR1ALDH1A1KDM4E
SCHEMBL5379026 0.80 FFAR1 (0.48) PPARAPPARGFFAR1ALDH1A1KDM4E
SCHEMBL5377697 0.80 FFAR1 (0.61) PPARAPPARGFFAR1ALDH1A1KDM4E
SCHEMBL5376806 0.80 FFAR1 (0.48) PPARAPPARGFFAR1ALDH1A1KDM4E

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