SCHEMBL1707796

SCHEMBL1707796

COC(=O)C[C@@H]1COc2cc(N(C(=O)C(F)(F)F)[C@@H]3COc4c(Nc5ccccc5N)cccc43)ccc21

nearest known ligand 0.36

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 17/20 0.36
LMNA P02545 1/20 0.33
PPARG P37231 2/20 0.33
PPARD Q03181 2/20 0.33

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
SCHEMBL10011606 0.92 PPARG (0.39) FFAR1PPARGPPARD
SCHEMBL10011585 0.92 PPARG (0.39) FFAR1PPARGPPARD
SCHEMBL10009683 0.92 PPARG (0.39) FFAR1PPARGPPARD
SCHEMBL10009366 0.87 FFAR1 (0.39) FFAR1PPARGPPARD
SCHEMBL10011798 0.85 FFAR1 (0.40) FFAR1PPARGPPARD
SCHEMBL1708211 0.84 FFAR1 (0.35) FFAR1
SCHEMBL1707830 0.84 FFAR1 (0.34) FFAR1PPARGPPARD
SCHEMBL10011779 0.84 PPARG (0.37) FFAR1PPARGPPARD
SCHEMBL10012787 0.84 PPARG (0.37) FFAR1PPARGPPARD
SCHEMBL10011378 0.84 PPARG (0.37) FFAR1PPARGPPARD

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
EP-2440541-A1 NOVEL FUSED CYCLIC COMPOUND AND USE THEREOF Takeda Pharmaceutical Company Limited (JP) 2012-04-18 EP disclosed