SCHEMBL3719338

SCHEMBL3719338

CC(=O)O[C@@H]1COc2cc(N[C@@H]3COc4c(-c5c(C)cc(OCC6CC6)cc5C)cccc43)ccc21

nearest known ligand 0.37

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 16/20 0.37
CYP2C8 P10632 2/20 0.36
CYP2C9 P11712 1/20 0.36
ALDH1A1 P00352 1/20 0.34
MAPT P10636 1/20 0.34
MAPK1 P28482 1/20 0.34
CD274 Q9NZQ7 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
SCHEMBL3718225 0.97 FFAR1 (0.37) FFAR1CYP2C8CYP2C9ALDH1A1MAPT
SCHEMBL1708198 0.88 FFAR1 (0.36) FFAR1CYP2C8ALDH1A1MAPTMAPK1
SCHEMBL1708320 0.88 FFAR1 (0.38) FFAR1ALDH1A1MAPTMAPK1CD274
SCHEMBL1708589 0.87 FFAR1 (0.44) FFAR1CYP2C8ALDH1A1MAPTMAPK1
SCHEMBL3719197 0.86 FFAR1 (0.35) FFAR1ALDH1A1MAPTMAPK1CD274
SCHEMBL3719335 0.86 FFAR1 (0.49) FFAR1
SCHEMBL1708199 0.85 FFAR1 (0.40) FFAR1ALDH1A1MAPTMAPK1CD274
SCHEMBL1708449 0.85 FFAR1 (0.38) FFAR1
SCHEMBL1708205 0.85 FFAR1 (0.38) FFAR1CD274
SCHEMBL1707839 0.84 EPHX2 (0.45) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2010143733-A1 NOVEL FUSED CYCLIC COMPOUND AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-12-16 WO disclosed