SCHEMBL1707749

SCHEMBL1707749

CC(=O)O[C@@H]1COc2cc(N[C@@H]3COc4c(-c5cc(C)sc5C)cccc43)ccc21

nearest known ligand 0.34

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.34
ALDH1A1 P00352 1/20 0.34
MAPK1 P28482 1/20 0.34
CD274 Q9NZQ7 2/20 0.31
MAPK14 Q16539 1/20 0.31
POLB P06746 1/20 0.31
KDM4E B2RXH2 1/20 0.31
LMNA P02545 1/20 0.31
TP53 P04637 1/20 0.31
HTT P42858 1/20 0.31
GFER P55789 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
HSD17B10 Q99714 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
SCHEMBL1707747 0.83 FFAR1 (0.42)
SCHEMBL3716544 0.82 HTR2A (0.33) MAPTALDH1A1MAPK1POLBKDM4E
SCHEMBL3719338 0.79 FFAR1 (0.37) MAPTALDH1A1MAPK1CD274
SCHEMBL1707925 0.79 MAPT (0.36) MAPTALDH1A1MAPK1CD274POLB
SCHEMBL3798510 0.78 ALDH1A1 (0.33) MAPTALDH1A1MAPK1
SCHEMBL1707930 0.78 MAPT (0.36) MAPTALDH1A1MAPK1CD274POLB
SCHEMBL1708185 0.77 ALDH1A1 (0.37) MAPTALDH1A1MAPK1POLBKDM4E
SCHEMBL1708320 0.77 FFAR1 (0.38) MAPTALDH1A1MAPK1CD274
SCHEMBL3718225 0.77 FFAR1 (0.37) MAPTALDH1A1MAPK1CD274
SCHEMBL1707964 0.77 INSR (0.36) MAPTALDH1A1CD274MAPK14KDM4E

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