SCHEMBL1130865

SCHEMBL1130865

Cc1cc(N(C)C(=O)OC(C)(C)C)c(C)c(C)c1O

nearest known ligand 0.33

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 1/20 0.33
PAX8 Q06710 1/20 0.32
ABL1 P00519 2/20 0.32
IRAK4 Q9NWZ3 1/20 0.31
MAOA P21397 1/20 0.31
NFKB1 P19838 1/20 0.30
NFKB2 Q00653 1/20 0.30
RELA Q04206 1/20 0.30
MEN1 O00255 1/20 0.30
PSMD14 O00487 1/20 0.30
HSP90AA1 P07900 1/20 0.30
MMP2 P08253 1/20 0.30
GAA P10253 1/20 0.30
MAPT P10636 1/20 0.30
THRB P10828 1/20 0.30
MAPK1 P28482 1/20 0.30
KMT2A Q03164 1/20 0.30
NPSR1 Q6W5P4 1/20 0.30
TDP1 Q9NUW8 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
SCHEMBL1131359 0.80 HTT (0.35) BRD4PAX8ABL1IRAK4NFKB1
SCHEMBL22114693 0.73 TRPA1 (0.38) BRD4PAX8ABL1IRAK4GAA
SCHEMBL22115129 0.73 ABL1 (0.38) BRD4PAX8ABL1IRAK4MEN1
SCHEMBL23564686 0.73 ABL1 (0.36) BRD4PAX8ABL1IRAK4NFKB1
SCHEMBL851065 0.73 ALDH1A1 (0.33) BRD4
SCHEMBL12117478 0.72 LIPE (0.43) BRD4PAX8MAPT
SCHEMBL20846001 0.72 ABL1 (0.34) BRD4PAX8ABL1IRAK4MEN1
SCHEMBL25736560 0.72 ABL1 (0.36) BRD4PAX8ABL1IRAK4MEN1
SCHEMBL20671184 0.71 AAK1 (0.40) BRD4PAX8ABL1IRAK4
SCHEMBL16096043 0.71 AAK1 (0.40) BRD4PAX8ABL1IRAK4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0753298-B2 Synergistic combination comprising an insulin sensitizer and a HMG-CoA reductase inhibitor for treating arteriosclerosis SANKYO CO (JP) 2011-02-16 EP disclosed
EP-0753298-B1 Synergistic combination comprising an insulin sensitizer and a HMG-CoA reductase inhibitor for treating arteriosclerosis SANKYO CO (JP) 2001-11-21 EP disclosed
EP-0745600-B1 Benzimidazole derivatives, their preparation and their therapeutic use SANKYO CO (JP) 2001-10-24 EP disclosed
US-6159997-A Treatment of arteriosclerosis and xanthoma SANKYO COMPANY, LIMITED (JP) 2000-12-12 US disclosed
US-5886014-A TREATMENT AND/OR PROPHYLAXIS OF A VARIETY OF DISORDERS, INCLUDING HYPERLIPEMIA, HYPERGLYCEMIA, OBESITY, IMPAIRED GLUCOSE TOLERANCE (IGT), INSULIN RESISTANCE AND DIABETIC COMPLICATIONS SANKYO COMPANY, LIMITED (JP) 1999-03-23 US disclosed
US-5798375-A ADMINISTERING TO THE PATIENT PREVASTATIN A HYDROXY-3-METHYL-GLUTARYL/3-/ COENZYME A REDUCTASE INHIBITOR AND A INSULIN SENSITIZER TROGLITAZONE SANKYO COMPANY, LIMITED (JP) 1998-08-25 US disclosed
EP-0753298-A1 Synergistic combination comprising an insulin sensitizer and a HMG-CoA reductase inhibitor for treating arteriosclerosis SANKYO COMPANY LIMITED (JP) 1997-01-15 EP disclosed
EP-0745600-A1 Benzimidazole derivatives, their preparation and their therapeutic use SANKYO COMPANY LIMITED (JP) 1996-12-04 EP disclosed