SCHEMBL1708205

SCHEMBL1708205

CC(=O)O[C@@H]1COc2cc(N[C@@H]3COc4c(-c5c(C)cc(OCCc6ccccc6F)cc5C)cccc43)ccc21

nearest known ligand 0.38

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 14/20 0.38
CD274 Q9NZQ7 2/20 0.36
PPARG P37231 2/20 0.34
PPARD Q03181 2/20 0.34
SIRT2 Q8IXJ6 1/20 0.33
ROCK2 O75116 1/20 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
SCHEMBL1708202 0.87 FFAR1 (0.49) FFAR1PPARGPPARD
SCHEMBL1708320 0.86 FFAR1 (0.38) FFAR1CD274ROCK2
SCHEMBL3719338 0.85 FFAR1 (0.37) FFAR1CD274
SCHEMBL1708449 0.84 FFAR1 (0.38) FFAR1
SCHEMBL1708199 0.84 FFAR1 (0.40) FFAR1CD274
SCHEMBL3718225 0.83 FFAR1 (0.37) FFAR1CD274
SCHEMBL1708589 0.83 FFAR1 (0.44) FFAR1CD274
SCHEMBL1707839 0.82 EPHX2 (0.45) FFAR1
SCHEMBL3719197 0.82 FFAR1 (0.35) FFAR1CD274
SCHEMBL1708354 0.81 FFAR1 (0.48) FFAR1

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-2440541-A1 NOVEL FUSED CYCLIC COMPOUND AND USE THEREOF Takeda Pharmaceutical Company Limited (JP) 2012-04-18 EP disclosed
WO-2010143733-A1 NOVEL FUSED CYCLIC COMPOUND AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-12-16 WO disclosed