SCHEMBL381301

SCHEMBL381301

CC(C)COC(=O)n1cc(B2OC(C)(C)C(C)(C)O2)cn1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 1/20 0.46
AAK1 Q2M2I8 3/20 0.36
MEN1 O00255 1/20 0.36
HPGD P15428 1/20 0.36
KMT2A Q03164 1/20 0.36
DGAT1 O75907 1/20 0.34
UCHL1 P09936 1/20 0.34
NPC1 O15118 1/20 0.33
MAPT P10636 1/20 0.33
RAB9A P51151 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
P2RX4 Q99571 1/20 0.33
ALDH1A1 P00352 2/20 0.31
USP30 Q70CQ3 2/20 0.31
JAK2 O60674 1/20 0.31
JAK1 P23458 1/20 0.31
TSHR P16473 2/20 0.31
NR1H2 P55055 1/20 0.30
NR1H3 Q13133 1/20 0.30
GSK3A P49840 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
SCHEMBL1650157 0.87 FFAR1 (0.50) FFAR1DGAT1UCHL1USP30GSK3A
SCHEMBL17165884 0.81 FFAR1 (0.45) FFAR1KMT2ADGAT1UCHL1SMN1; SMN2
SCHEMBL29071418 0.81 FFAR1 (0.49) FFAR1DGAT1UCHL1USP30GSK3A
SCHEMBL141413 0.78 FFAR1 (0.52) FFAR1AAK1DGAT1UCHL1USP30
SCHEMBL860835 0.78 FFAR1 (0.46) FFAR1DGAT1UCHL1USP30
SCHEMBL1901394 0.77 FFAR1 (0.46) FFAR1AAK1DGAT1UCHL1USP30
SCHEMBL680013 0.77 FFAR1 (0.52) FFAR1DGAT1UCHL1GSK3AGSK3B
SCHEMBL14654744 0.77 FFAR1 (0.52) FFAR1DGAT1UCHL1USP30GSK3A
SCHEMBL1583433 0.76 P2RX4 (0.36) FFAR1AAK1MEN1HPGDKMT2A
SCHEMBL13412136 0.76 FFAR1 (0.49) FFAR1DGAT1UCHL1USP30GSK3A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2563775-A1 PYRAZOLYL QUINAZOLINE KINASE INHIBITORS Astex Therapeutics Limited (GB) 2013-03-06 EP disclosed
EP-2512242-A1 NOVEL COMPOUNDS Glaxo Wellcome Manufacturing Pte Ltd (SG) 2012-10-24 EP disclosed
EP-2496557-A1 TETRAHYDROQUINOLINE DERIVATIVES AND THEIR PHARMACEUTICAL USE GlaxoSmithKline LLC (US) 2012-09-12 EP disclosed
EP-2483254-A1 NOVEL COMPOUNDS Glaxo Group Limited (GB) 2012-08-08 EP disclosed
EP-2408769-A1 PYRIMIDINE DERIVATIVES USED AS ITK INHIBITORS Glaxo Group Limited (GB) 2012-01-25 EP disclosed
WO-2011135376-A1 PYRAZOLYL QUINAZOLINE KINASE INHIBITORS ASTEX THERAPEUTICS LIMITED (GB) 2011-11-03 WO disclosed
WO-2011110575-A1 DERIVATIVES OF 2-[2-(BENZO- OR PYRIDO-) THIAZOLYLAMINO]-6-AMINOPYRIDINE, USEFUL IN THE TREATMENT OF RESPIRATORIC, ALLERGIC OR INFLAMMATORY DISEASES GLAXO GROUP LIMITED (GB) 2011-09-15 WO disclosed
WO-2011075559-A1 NOVEL COMPOUNDS GLAXO WELLCOME MANUFACTURING PTE LTD. (SG) 2011-06-23 WO disclosed
WO-2011054841-A1 TETRAHYDROQUINOLINE DERIVATIVES AND THEIR PHARMACEUTICAL USE GLAXOSMITHKLINE LLC (US) 2011-05-12 WO disclosed
WO-2011038572-A1 NOVEL COMPOUNDS GLAXO GROUP LIMITED (GB) 2011-04-07 WO disclosed
WO-2010106016-A1 PYRIMIDINE DERIVATIVES USED AS ITK INHIBITORS GLAXO GROUP LIMITED (GB) 2010-09-23 WO disclosed
WO-2010093885-A1 INHIBITORS OF AKT ACTIVITY GLAXOSMITHKLINE LLC (US) 2010-08-19 WO disclosed
EP-2203445-A1 AZABICYCLO Ý3. 1. O¨HEXYL DERIVATIVES AS MODULATORS OF DOPAMINE D3 RECEPTORS Glaxo Group Limited (GB) 2010-07-07 EP disclosed
EP-2150255-A1 QUINOXALINE DERIVATIVES AS P13 KINASE INHIBITORS Smithkline Beecham Corporation (US) 2010-02-10 EP disclosed
WO-2009043883-A1 AZABICYCLO [3. 1. O] HEXYL DERIVATIVES AS MODULATORS OF DOPAMINE D3 RECEPTORS GLAXO GROUP LIMITED (GB) 2009-04-09 WO disclosed
WO-2008141065-A1 QUINOXALINE DERIVATIVES AS P13 KINASE INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2008-11-20 WO disclosed
EP-1812112-A2 CHEMICAL COMPOUNDS SmithKline Beecham Corporation (US) 2007-08-01 EP disclosed
WO-2006044753-A2 CHEMICAL COMPOUNDS SMITHKLINE BEECHAM CORPORATION (US) 2006-04-27 WO disclosed