SCHEMBL3395701

SCHEMBL3395701

COc1cc(-c2cccc(CO[Si](C)(C)C(C)(C)C)c2)cc(C(NC(=O)O)C(C)(C)C)c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PLG P00747 1/20 0.39
PLAU P00749 1/20 0.39
PLAT P00750 1/20 0.39
FFAR1 O14842 6/20 0.37
PPARD Q03181 2/20 0.36
DHFR P00374 1/20 0.36
SLC16A3 O15427 2/20 0.35
SLC16A1 P53985 2/20 0.35
PTGER4 P35408 1/20 0.35
MCTS1 Q9ULC4 1/20 0.35
MEN1 O00255 1/20 0.34
POLB P06746 1/20 0.34
MAPT P10636 1/20 0.34
APEX1 P27695 1/20 0.34
KMT2A Q03164 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
CTSA P10619 1/20 0.34
CFD P00746 1/20 0.34
F11 P03951 1/20 0.34

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
SCHEMBL3404871 0.88 CTSA (0.37) PLGPLAUPLATFFAR1CTSA
SCHEMBL4093359 0.81 MAPT (0.42) MEN1MAPTKMT2A
SCHEMBL3396510 0.79 CTSA (0.36) FFAR1CTSA
SCHEMBL1363225 0.76 TSHR (0.46) PLGPLAUPLATFFAR1PPARD
SCHEMBL3428477 0.75 CYP1A1 (0.42) PLGPLAUPLATFFAR1PPARD
SCHEMBL12053409 0.75 DYRK1A (0.42) MEN1MAPTKMT2AL3MBTL1
SCHEMBL3432983 0.72 CYP1A1 (0.39) PLGPLAUPLATFFAR1PPARD
SCHEMBL4103863 0.72 TACR1 (0.44) FFAR1POLBKMT2ATDP1L3MBTL1
SCHEMBL4095280 0.70 TACR1 (0.44) FFAR1
SCHEMBL4783563 0.69 PRKCI (0.49)

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 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2259681-A1 DUAL PHARMACOPHORES-PDE4-MUSCARINIC ANTAGONISTICS Glaxo Group Limited (GB) 2010-12-15 EP disclosed
EP-2249830-A1 DUAL PHARMACOPHORES - PDE4-MUSCARINIC ANTAGONISTICS Glaxo Group Limited (GB) 2010-11-17 EP disclosed
EP-2249647-A1 DUAL PHARMACOPHORES - PDE4-MUSCARINIC ANTAGONISTICS Glaxo Group Limited (GB) 2010-11-17 EP disclosed
EP-2249646-A1 DUAL PHARMACOPHORES - PDE4-MUSCARINIC ANTAGONISTICS Glaxo Group Limited (GB) 2010-11-17 EP disclosed
EP-2247184-A1 DUAL PHARMACOPHORES-PDE4-MUSCARINIC ANTAGONISTICS Glaxo Group Limited (GB) 2010-11-10 EP disclosed
WO-2009100169-A1 DUAL PHARMACOPHORES - PDE4-MUSCARINIC ANTAGONISTICS GLAXO GROUP LIMITED (GB) 2009-08-13 WO disclosed
WO-2009100167-A1 DUAL PHARMACOPHORES-PDE4-MUSCARINIC ANTAGONISTICS GLAXO GROUP LIMITED (GB) 2009-08-13 WO disclosed
WO-2009100168-A1 DUAL PHARMACOPHORES - PDE4-MUSCARINIC ANTAGONISTICS GLAXO GROUP LIMITED (GB) 2009-08-13 WO disclosed
WO-2009100170-A1 DUAL PHARMACOPHORES - PDE4-MUSCARINIC ANTAGONISTICS GLAXO GROUP LIMITED (GB) 2009-08-13 WO disclosed
WO-2009100166-A1 DUAL PHARMACOPHORES-PDE4-MUSCARINIC ANTAGONISTICS GLAXO GROUP LIMITED (GB) 2009-08-13 WO disclosed