SCHEMBL3428339

SCHEMBL3428339

Cc1cc(CC(C)(C)C)cc(-c2cccc(CO[Si](C)(C)C(C)(C)C)c2)c1

nearest known ligand 0.38

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 2/20 0.38
AGXT P21549 3/20 0.37
GRM5 P41594 1/20 0.35
FFAR1 O14842 2/20 0.34
SYK P43405 7/20 0.33
PLG P00747 1/20 0.32
PLAU P00749 1/20 0.32
PLAT P00750 1/20 0.32
MAOB P27338 2/20 0.31
MAOA P21397 1/20 0.31
F2 P00734 1/20 0.30

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
SCHEMBL12053389 0.87 IDO1 (0.41) IDO1AGXTGRM5FFAR1PLG
SCHEMBL3428477 0.85 CYP1A1 (0.42) IDO1AGXTFFAR1PLGPLAU
SCHEMBL12053390 0.85 PRMT6 (0.44) IDO1AGXTGRM5
SCHEMBL4103863 0.83 TACR1 (0.44) FFAR1SYKMAOB
SCHEMBL3426968 0.81 AGXT (0.36) IDO1AGXTFFAR1
SCHEMBL1363991 0.79 MAPT (0.40) GRM5
SCHEMBL1363398 0.79 MEN1 (0.39) FFAR1SYKPLGPLAUPLAT
SCHEMBL3426549 0.79 AGXT (0.41) IDO1AGXTFFAR1F2
SCHEMBL4783563 0.78 PRKCI (0.49) AGXTF2
SCHEMBL4727676 0.78 CYP4F2 (0.44) IDO1AGXTF2

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-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-2249830-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-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-2009100167-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