SCHEMBL13047337

SCHEMBL13047337

COC(=O)C[C@@H]1COc2cc(N[C@@H]3COc4c(-c5c(C)nc(N6CCOCC6)nc5C)cccc43)ccc21

nearest known ligand 0.37

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 11/20 0.37
PIK3CA P42336 5/20 0.36
MTOR P42345 4/20 0.36
ALDH1A1 P00352 2/20 0.34
MAPT P10636 1/20 0.34
MAPK1 P28482 1/20 0.34
PIK3CG P48736 3/20 0.33
KDM4E B2RXH2 1/20 0.33
LMNA P02545 1/20 0.33
HPGD P15428 1/20 0.33
ALOX15 P16050 1/20 0.33
HSD17B10 Q99714 1/20 0.33
MCHR1 Q99705 1/20 0.33
PIK3CD O00329 1/20 0.33
PIK3CB P42338 1/20 0.33
GAA P10253 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
SCHEMBL1708183 0.93 FFAR1 (0.39) FFAR1PIK3CAMTOR
SCHEMBL1708213 0.91 MTOR (0.36) FFAR1PIK3CAMTORALDH1A1MAPT
SCHEMBL10291211 0.89 MTOR (0.34) PIK3CAMTORALDH1A1MAPTMAPK1
SCHEMBL1707924 0.86 FFAR1 (0.40) FFAR1
SCHEMBL1707916 0.85 MTOR (0.36) PIK3CAMTORALDH1A1MAPTMAPK1
SCHEMBL1707929 0.85 FFAR1 (0.33) FFAR1ALDH1A1MAPTMAPK1KDM4E
SCHEMBL1708185 0.85 ALDH1A1 (0.37) PIK3CAMTORALDH1A1MAPTMAPK1
SCHEMBL1708215 0.84 ALDH1A1 (0.36) PIK3CAMTORALDH1A1MAPTMAPK1
SCHEMBL1708681 0.80 FFAR1 (0.40) FFAR1
SCHEMBL1708714 0.79 MTOR (0.37) FFAR1PIK3CAMTORPIK3CGPIK3CD

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