SCHEMBL1708199

SCHEMBL1708199

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

nearest known ligand 0.40

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 12/20 0.40
KDM4E B2RXH2 3/20 0.35
ALDH1A1 P00352 3/20 0.35
TDP1 Q9NUW8 2/20 0.35
MAPT P10636 1/20 0.32
MAPK1 P28482 1/20 0.32
HRH3 Q9Y5N1 1/20 0.32
HDAC6 Q9UBN7 1/20 0.31
CD274 Q9NZQ7 1/20 0.31

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
SCHEMBL1708320 0.96 FFAR1 (0.38) FFAR1ALDH1A1TDP1MAPTMAPK1
SCHEMBL1708196 0.87 FFAR1 (0.54) FFAR1
SCHEMBL3719338 0.85 FFAR1 (0.37) FFAR1ALDH1A1MAPTMAPK1CD274
SCHEMBL1708449 0.84 FFAR1 (0.38) FFAR1HRH3
SCHEMBL3718225 0.84 FFAR1 (0.37) FFAR1ALDH1A1MAPTMAPK1CD274
SCHEMBL1708205 0.84 FFAR1 (0.38) FFAR1CD274
SCHEMBL1708589 0.83 FFAR1 (0.44) FFAR1ALDH1A1MAPTMAPK1CD274
SCHEMBL1707839 0.83 EPHX2 (0.45) FFAR1
SCHEMBL3719197 0.83 FFAR1 (0.35) FFAR1ALDH1A1MAPTMAPK1CD274
SCHEMBL1708319 0.82 FFAR1 (0.51) 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