SCHEMBL5079391

SCHEMBL5079391

COC(=O)C(C)c1ccc(-c2ccsc2)cc1

nearest known ligand 0.69

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ GRIA4 P48058 2/20 0.49
▸ HPGD P15428 1/20 0.49
▸ HDAC1 Q13547 2/20 0.46
▸ HDAC6 Q9UBN7 2/20 0.46
▸ CYP17A1 P05093 1/20 0.43
▸ KDM4E B2RXH2 1/20 0.42
▸ CTSL P07711 1/20 0.41
▸ CTSB P07858 1/20 0.41
▸ CTSS P25774 1/20 0.41
▸ CTSK P43235 1/20 0.41
▸ NR4A2 P43354 1/20 0.41
▸ SLC6A2 P23975 1/20 0.41
▸ SLC6A4 P31645 1/20 0.41
▸ SLC6A3 Q01959 1/20 0.41
▸ PTGS2 P35354 1/20 0.41
▸ LMNA P02545 1/20 0.40
▸ MT-CO2 P00403 1/20 0.40

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
SCHEMBL28905896 0.84 HDAC1 (0.46) GRIA4HDAC1HDAC6CYP17A1KDM4E
Atliprofen SCHEMBL29387619 0.82 PTGS2 (0.62) GRIA4HPGDCYP17A1KDM4EPTGS2
SCHEMBL5542458 0.82 HPGD (0.48) HPGDKDM4EPTGS2MT-CO2
SCHEMBL3729385 0.80 PTGS2 (0.58) HPGDPTGS2MT-CO2
SCHEMBL27223791 0.79 MAOB (0.51) HPGDPTGS2LMNA
SCHEMBL8721712 0.79 HDAC1 (0.45) GRIA4HDAC1HDAC6CYP17A1KDM4E
SCHEMBL4827831 0.78 PTGS2 (0.67) HPGDPTGS2
SCHEMBL6793892 0.78 GRIA4 (0.52) GRIA4CYP17A1CTSLCTSBCTSS
SCHEMBL6789814 0.76 GRIA4 (0.60) GRIA4HDAC1HDAC6CYP17A1KDM4E
SCHEMBL11130803 0.74 HPGD (0.53) HPGDPTGS2LMNAMT-CO2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20060154954-A1 Combinations and use of selected pharmaceutically active compounds ALTANA PHARMA AG (DE) 2006-07-13 — — US claimed
CN-1747731-A Imidazopyridines containing combinations and their use in treating gastrointestinal inflammatory disorders ALTANA PHARMA AG (DE) 2006-03-15 — — CN claimed
EP-1599175-A2 IMIDAZOPYRIDINES CONTAINING COMBINATIONS AND THEIR USE IN TREATING GASTROINTESTINAL INFLAMMATORY DISORDERS ALTANA Pharma AG (DE) 2005-11-30 — — EP claimed
WO-2005074930-A1 PHARMACEUTICAL COMBINATIONS OF (S) -PANTOPRAZOLE WITH NSAID OR CORTICOSTEROIDS ALTANA PHARMA AG (DE) 2005-08-18 — — WO claimed
US-20040242597-A1 Combination NYCOMED GMBH (DE) 2004-12-02 — — US claimed
WO-2004071391-A2 IMIDAZOPYRIDINES CONTAINING COMBINATIONS AND THEIR USE IN TREATING GASTROINTESTINAL INFLAMMATORY DISORDERS ALTANA PHARMA AG (DE) 2004-08-26 — — WO claimed
EP-1429807-A2 COMBINATION OF A NSAID AND A PDE-4 INHIBITOR ALTANA Pharma AG (DE) 2004-06-23 — — EP claimed
WO-2003024489-A2 COMBINATION OF A NSAID AND A PDE-4 INHIBITOR ALTANA PHARMA AG (DE) 2003-03-27 — — WO claimed
US-8242146-B2 Administering ROFLUMILAS and DICLOFENAC; antiinflammatory agents NYCOMED GMBH (DE) 2012-08-14 — — US disclosed
US-20080255209-A1 Combination of a NSAID and a PDE-4 inhibitor NYCOMED GMBH (DE) 2008-10-16 — — US disclosed
US-20060154954-A1 Combinations and use of selected pharmaceutically active compounds ALTANA PHARMA AG (DE) 2006-07-13 — — US disclosed
EP-1599175-A2 IMIDAZOPYRIDINES CONTAINING COMBINATIONS AND THEIR USE IN TREATING GASTROINTESTINAL INFLAMMATORY DISORDERS ALTANA Pharma AG (DE) 2005-11-30 — — EP disclosed
WO-2005074930-A1 PHARMACEUTICAL COMBINATIONS OF (S) -PANTOPRAZOLE WITH NSAID OR CORTICOSTEROIDS ALTANA PHARMA AG (DE) 2005-08-18 — — WO disclosed
US-20040242597-A1 Combination NYCOMED GMBH (DE) 2004-12-02 — — US disclosed
WO-2004071391-A2 IMIDAZOPYRIDINES CONTAINING COMBINATIONS AND THEIR USE IN TREATING GASTROINTESTINAL INFLAMMATORY DISORDERS ALTANA PHARMA AG (DE) 2004-08-26 — — WO disclosed
EP-1429807-A2 COMBINATION OF A NSAID AND A PDE-4 INHIBITOR ALTANA Pharma AG (DE) 2004-06-23 — — EP disclosed
WO-2003024489-A2 COMBINATION OF A NSAID AND A PDE-4 INHIBITOR ALTANA PHARMA AG (DE) 2003-03-27 — — WO disclosed
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