SCHEMBL636656

SCHEMBL636656

C=CCC(C=C)N(O)[C]=O

nearest known ligand 0.00

⚠ Novel chemotype — no close known analogue (best Tanimoto < 0.3). Unexplored chemical space relative to ChEMBL.

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
SCHEMBL7158784 0.79
SCHEMBL9718360 0.68
SCHEMBL859281 0.68
SCHEMBL6841296 0.68
SCHEMBL7110107 0.65 GRIK1 (0.31)
SCHEMBL11593267 0.65 GRIK1 (0.34)
SCHEMBL11501282 0.64
Hydrochloric Acid SCHEMBL27735934 0.62
SCHEMBL8597260 0.61 ALDH1A1 (0.31)
SCHEMBL10757691 0.59

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 61 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7605264-B2 Heterocyclic modulators of the glucocorticoid receptor, AP-1, and/or NF-κB activity and use thereof BRISTOL-MYERS SQUIBB COMPANY (US) 2009-10-20 US claimed
US-7273881-B2 Modulators of glucocorticoid receptor, AP-1, and/or NF-κB activity and use thereof BRISTOL-MYERS SQUIBB COMPANY (US) 2007-09-25 US claimed
EP-1708701-B1 MODULATORS OF THE GLUCOCORTICOID RECEPTOR, AP-1, AND/OR NF-KB ACTIVITY AND USE THEREOF BRISTOL MYERS SQUIBB CO (US) 2012-08-01 EP disclosed
EP-1841750-B1 HETEROCYCLIC MODULATORS OF THE GLUCOCORTICOID RECEPTOR, AP-1, AND/OR NF-KB ACTIVITY AND USE THEREOF BRISTOL MYERS SQUIBB CO (US) 2012-02-22 EP disclosed
US-8013004-B2 Modulators of the glucocorticoid receptor, AP-1, and/or NF-κB activity and use thereof BRISTOL-MYERS SQUIBB COMPANY (US) 2011-09-06 US disclosed
EP-1844028-B1 MODULATORS OF THE GLUCOCORTICOID RECEPTOR, AP-1, AND/OR NF-kB ACTIVITY AND USE THEREOF BRISTOL MYERS SQUIBB CO (US) 2011-02-23 EP disclosed
EP-1896434-B1 SUBSTITUTED HETEROARYL AMIDE MODULATORS OF GLUCOCORTICOID RECEPTOR, AP-1, AND/OR NFkB ACTIVITY AND USE THEREOF BRISTOL MYERS SQUIBB CO (US) 2011-02-23 EP disclosed
US-20100113532-A1 MODULATORS OF THE GLUCOCORTICOID RECEPTOR, AP-1, AND/OR NF-kB ACTIVITY AND USE THEREOF BRISTOL-MYERS SQUIBB COMPANY 2010-05-06 US disclosed
US-7642273-B2 Bridged tricyclic (e.g 9,10-ethanoanthracene) derivatives of (2-carbonylamino)thiazol-5-yloxoacetamides; treating diseases associated with modulation of the glucocorticoid receptor, AP-1, and/or NF- kappa B activity including obesity, diabetes, inflammatory and immune diseases BRISTOL-MYERS SQUIBB COMPANY (US) 2010-01-05 US disclosed
US-7625921-B2 Modulators of the glucocorticoid receptor, AP-1, and/or NF-κB activity and use thereof BRISTOL-MYERS SQUIBB COMPANY (US) 2009-12-01 US disclosed
US-7605264-B2 Heterocyclic modulators of the glucocorticoid receptor, AP-1, and/or NF-κB activity and use thereof BRISTOL-MYERS SQUIBB COMPANY (US) 2009-10-20 US disclosed
US-20040132758-A1 Modulators of the glucocorticoid receptor and method BRISTOL-MYERS SQUIBB COMPANY 2004-07-08 US disclosed
US-6756360-B1 PHOSPHONATE, PHOSPHATE AND BISAMINO PHOSPHONATE DERIVATIVES METABASIS THERAPEUTICS, INC. 2004-06-29 US disclosed
WO-2004009017-A2 MODULATORS OF THE GLUCOCORTICOID RECEPTOR AND METHOD BRISTOL-MYERS SQUIBB COMPANY (US) 2004-01-29 WO disclosed
EP-1372660-A2 A COMBINATION OF FBPASE INHIBITORS AND ANTIDIABETIC AGENTS USEFUL FOR THE TREATMENT OF DIABETES Metabasis Therapeutics, Inc. (US) 2004-01-02 EP disclosed
US-20030073728-A1 Combination of FBPase inhibitors and antidiabetic agents useful for the treatment of diabetes METABASIS THERAPEUTICS, INC. 2003-04-17 US disclosed
EP-1143955-A3 A COMBINATION OF FBPase INHIBITORS AND INSULIN SENSITIZERS FOR THE TREATMENT OF DIABETES Metabasis Therapeutics Inc. (US) 2002-08-28 EP disclosed
WO-2002003978-A2 A COMBINATION OF FBPase INHIBITORS AND ANTIDIABETIC AGENTS USEFUL FOR THE TREATMENT OF DIABETES METABASIS THERAPEUTICS, INC. (US) 2002-01-17 WO disclosed
EP-1143955-A2 A COMBINATION OF FBPase INHIBITORS AND INSULIN SENSITIZERS FOR THE TREATMENT OF DIABETES Metabasis Therapeutics Inc. (US) 2001-10-17 EP disclosed
WO-2000038666-A2 A COMBINATION OF FBPase INHIBITORS AND INSULIN SENSITIZERS FOR THE TREATMENT OF DIABETES METABASIS THERAPEUTICS, INC. (US) 2000-07-06 WO disclosed