SCHEMBL1707923

SCHEMBL1707923

CC(=O)O[C@H]1c2ccc(NCc3ccc(C)c(-c4c(C)nc(N5CCOCC5)nc4C)c3C)cc2OC1C

nearest known ligand 0.36

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
GAA P10253 7/20 0.36
ALOX15 P16050 4/20 0.36
ALDH1A1 P00352 4/20 0.36
MAPT P10636 3/20 0.36
MAPK1 P28482 2/20 0.36
KDM4E B2RXH2 4/20 0.35
HSD17B10 Q99714 4/20 0.35
PIK3CA P42336 1/20 0.34
MTOR P42345 1/20 0.34
TSHR P16473 1/20 0.34
LMNA P02545 1/20 0.34
HPGD P15428 1/20 0.34
RAF1 P04049 4/20 0.33
BRAF P15056 4/20 0.33
STAT6 P42226 1/20 0.33
RAB9A P51151 1/20 0.33
PTGS2 P35354 1/20 0.33
TDP1 Q9NUW8 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
SCHEMBL1707901 0.86 GAA (0.38) GAAALOX15ALDH1A1MAPTMAPK1
SCHEMBL1708599 0.85 WNT3A (0.38) MAPTMTORRAF1BRAFRAB9A
SCHEMBL1707989 0.85 EED (0.38) GAAALOX15ALDH1A1MAPTMAPK1
SCHEMBL1708222 0.83 STAT6 (0.36) GAAALOX15MAPK1MTORRAF1
SCHEMBL1708277 0.79 RORC (0.33)
SCHEMBL1707899 0.79 FFAR1 (0.43) GAAALDH1A1KDM4EHSD17B10TSHR
SCHEMBL1708221 0.78 INSR (0.34) GAAALDH1A1MAPTKDM4ETSHR
SCHEMBL10291552 0.77 MAPT (0.37) GAAALOX15ALDH1A1MAPTMAPK1
SCHEMBL1708225 0.75 KLKB1 (0.35) GAAALDH1A1MAPTPIK3CAMTOR
SCHEMBL1708348 0.75 GAA (0.39) GAAALOX15ALDH1A1MAPTMAPK1

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