SCHEMBL6582792

SCHEMBL6582792

CC(C)(C)c1cccc(Br)c1S

nearest known ligand 0.44

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CA2 P00918 2/20 0.44
GABRA1 P14867 1/20 0.39
GABRB2 P47870 1/20 0.39
ALDH1A1 P00352 2/20 0.38
TSHR P16473 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
KIF11 P52732 1/20 0.33
ALOX12 P18054 1/20 0.32
CA1 P00915 1/20 0.31
CA5A P35218 1/20 0.31
CA9 Q16790 1/20 0.31
NPSR1 Q6W5P4 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
SCHEMBL1246713 0.83 CA2 (0.55) CA2GABRA1GABRB2ALDH1A1TSHR
SCHEMBL6502164 0.77 SMN1; SMN2 (0.39) CA2ALDH1A1TDP1KIF11CA1
SCHEMBL6681932 0.76 CA2 (0.48) CA2GABRA1GABRB2ALDH1A1TSHR
SCHEMBL8419513 0.76 CA2 (0.48) CA2GABRA1GABRB2ALDH1A1TSHR
SCHEMBL1972678 0.76 CA2 (0.48) CA2GABRA1GABRB2ALDH1A1TSHR
SCHEMBL30503531 0.75 ALDH1A1 (0.50) CA2GABRA1GABRB2ALDH1A1TSHR
SCHEMBL292047 0.75 ALDH1A1 (0.50) CA2GABRA1GABRB2ALDH1A1TSHR
SCHEMBL2555602 0.74 GABRA1 (0.56) CA2GABRA1GABRB2ALDH1A1TSHR
SCHEMBL27741629 0.74 CA2 (0.46) CA2GABRA1GABRB2ALDH1A1TSHR
SCHEMBL11955142 0.74 CA2 (0.46) CA2GABRA1GABRB2ALDH1A1TSHR

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-0879231-B1 DIHYDROBENZOFURAN AND RELATED COMPOUNDS USEFUL AS ANTI-INFLAMMATORY AGENTS UNIV VANDERBILT (US) 2004-09-22 EP disclosed
EP-0891346-B1 DIHYDROBENZOFURAN COMPOUNDS USEFUL AS ANTI-INFLAMMATORY AGENTS UNIV VANDERBILT (US) 2004-05-12 EP disclosed
CN-1097588-C Dihydrobenzofuran and related compounds useful as anti-inflammatory agents UNIV FANDBILT (US) 2003-01-01 CN disclosed
EP-0779886-B1 DIHYDROBENZOFURAN AND RELATED COMPOUNDS USEFUL AS ANTI-INFLAMMATORY AGENTS UNIV VANDERBILT (US) 2001-12-05 EP disclosed
CN-1210529-A Dihydrobenzofuran and related compounds useful as anti-inflammatory agents PROCTER & GAMBLE (US) 1999-03-10 CN disclosed
EP-0891346-A1 DIHYDROBENZOFURAN COMPOUNDS USEFUL AS ANTI-INFLAMMATORY AGENTS THE PROCTER & GAMBLE COMPANY (US) 1999-01-20 EP disclosed
EP-0879231-A1 DIHYDROBENZOFURAN AND RELATED COMPOUNDS USEFUL AS ANTI-INFLAMMATORY AGENTS THE PROCTER & GAMBLE COMPANY (US) 1998-11-25 EP disclosed
US-5684041-A FOR TREATING ARTHRITIS THE PROCTER & GAMBLE COMPANY (US) 1997-11-04 US disclosed
US-5684002-A FOR TREATING ARTHRITIS THE PROCTER & GAMBLE COMPANY (US) 1997-11-04 US disclosed
US-5674891-A ANALGESICS WITH SIDE EFFECT REDUCTION THE PROCTER & GAMBLE COMPANY (US) 1997-10-07 US disclosed
US-5672620-A ANALGESICS, ANTIARTHRITIC AGENT THE PROCTER & GAMBLE COMPANY (US) 1997-09-30 US disclosed
US-5656661-A ANALGESICS THE PROCTER & GAMBLE COMPANY (US) 1997-08-12 US disclosed
WO-1997028148-A1 DIHYDROBENZOFURAN COMPOUNDS USEFUL AS ANTI-INFLAMMATORY AGENTS THE PROCTER & GAMBLE COMPANY (US) 1997-08-07 WO disclosed
WO-1997028143-A1 DIHYDROBENZOFURAN AND RELATED COMPOUNDS USEFUL AS ANTI-INFLAMMATORY AGENTS THE PROCTER & GAMBLE COMPANY (US) 1997-08-07 WO disclosed
EP-0779886-A1 DIHYDROBENZOFURAN AND RELATED COMPOUNDS USEFUL AS ANTI-INFLAMMATORY AGENTS THE PROCTER & GAMBLE COMPANY (US) 1997-06-25 EP disclosed
EP-0773939-A1 DIHYDROBENZOFURAN AND RELATED COMPOUNDS USEFUL AS ANTI-INFLAMMATORY AGENTS THE PROCTER & GAMBLE COMPANY (US) 1997-05-21 EP disclosed
WO-1996007651-A1 DIHYDROBENZOFURAN AND RELATED COMPOUNDS USEFUL AS ANTI-INFLAMMATORY AGENTS THE PROCTER & GAMBLE COMPANY (US) 1996-03-14 WO disclosed
WO-1996003396-A1 DIHYDROBENZOFURAN AND RELATED COMPOUNDS USEFUL AS ANTI-INFLAMMATORY AGENTS THE PROCTER & GAMBLE COMPANY (US) 1996-02-08 WO disclosed