SCHEMBL5808909

SCHEMBL5808909

CCOC(=O)CCc1cn(Cc2ccc(OCc3coc(-c4ccccc4)n3)cc2)nc1OCC.CCOC(=O)CCc1cn(Cc2ccccc2OCc2nc(-c3ccccc3)oc2C)nc1OCC

nearest known ligand 0.46

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 4/20 0.46
PPARG P37231 14/20 0.41
PPARA Q07869 13/20 0.41
PPARD Q03181 1/20 0.38

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
SCHEMBL5371978 0.89 FFAR1 (0.57) FFAR1PPARGPPARA
SCHEMBL5387654 0.89 FFAR1 (0.54) FFAR1PPARGPPARAPPARD
SCHEMBL5376749 0.89 FFAR1 (0.45) FFAR1PPARGPPARAPPARD
SCHEMBL5380604 0.85 FFAR1 (0.56) FFAR1PPARGPPARA
SCHEMBL5371853 0.84 FFAR1 (0.56) FFAR1PPARGPPARA
SCHEMBL5376899 0.84 FFAR1 (0.60) FFAR1PPARGPPARAPPARD
SCHEMBL5381178 0.84 FFAR1 (0.67) FFAR1PPARGPPARA
SCHEMBL5376634 0.83 FFAR1 (0.47) FFAR1PPARGPPARAPPARD
SCHEMBL5393704 0.83 FFAR1 (0.52) FFAR1PPARGPPARAPPARD
SCHEMBL5376840 0.83 FFAR1 (0.53) FFAR1PPARGPPARAPPARD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2006036007-A2 MODIFIED-RELEASE PREPARATION TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2006-04-06 WO disclosed