SCHEMBL3427833

SCHEMBL3427833

COc1c(CC(C)(C)C)cccc1-c1cccc(CO[Si](C)(C)C(C)(C)C)c1

nearest known ligand 0.34

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HTR7 P34969 4/20 0.34
PDCD1 Q15116 7/20 0.32
CD274 Q9NZQ7 7/20 0.32
AGXT P21549 3/20 0.31
FFAR1 O14842 2/20 0.31
IDO1 P14902 2/20 0.31
MAOB P27338 1/20 0.30
PTGER1 P34995 1/20 0.30
PTGER4 P35408 1/20 0.30
PTGER3 P43115 1/20 0.30
PTGER2 P43116 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
SCHEMBL3424220 0.86 CD274 (0.35) HTR7PDCD1CD274AGXTFFAR1
SCHEMBL3426719 0.85 AGXT (0.35) AGXTFFAR1IDO1MAOBPTGER1
SCHEMBL4088107 0.84 PDCD1 (0.41) PDCD1CD274FFAR1MAOB
SCHEMBL1364563 0.80 LMNA (0.38) HTR7PDCD1CD274FFAR1PTGER1
SCHEMBL3399261 0.80 BRD4 (0.43) PDCD1CD274
SCHEMBL3426968 0.77 AGXT (0.36) AGXTFFAR1IDO1
SCHEMBL3428477 0.76 CYP1A1 (0.42) AGXTFFAR1IDO1MAOB
SCHEMBL10518591 0.74 AGXT (0.38) HTR7AGXTFFAR1IDO1MAOB
SCHEMBL19839919 0.74 CD274 (0.39) PDCD1CD274
SCHEMBL4095202 0.73 EPHX1 (0.45) PDCD1CD274FFAR1

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-2009100170-A1 DUAL PHARMACOPHORES - PDE4-MUSCARINIC ANTAGONISTICS GLAXO GROUP LIMITED (GB) 2009-08-13 WO 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-2009100166-A1 DUAL PHARMACOPHORES-PDE4-MUSCARINIC ANTAGONISTICS GLAXO GROUP LIMITED (GB) 2009-08-13 WO disclosed