SCHEMBL6640263

SCHEMBL6640263

CC(C)(C)c1cc(C(N)=NO)cc2c1OCC2(C)C

nearest known ligand 0.57

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 19/20 0.57
PTGS1 P23219 18/20 0.57
ALOX5 P09917 12/20 0.57

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
SCHEMBL7797541 0.83 PTGS2 (0.67) PTGS2PTGS1ALOX5
Hydrochloric Acid SCHEMBL8866562 0.80 PTGS2 (0.61) PTGS2PTGS1ALOX5
SCHEMBL7799590 0.78 PTGS2 (0.73) PTGS2PTGS1ALOX5
SCHEMBL4611741 0.78 PTGS2 (0.69) PTGS2PTGS1ALOX5
SCHEMBL7795840 0.77 PTGS2 (0.70) PTGS2PTGS1ALOX5
Hydrochloric Acid SCHEMBL7795844 0.77 PTGS2 (0.71) PTGS2PTGS1ALOX5
SCHEMBL6758669 0.76 PTGS2 (0.60) PTGS2PTGS1ALOX5
SCHEMBL15726927 0.76 PTGS2 (0.57) PTGS2PTGS1ALOX5
SCHEMBL4613977 0.75 PTGS2 (0.65) PTGS2PTGS1ALOX5
SCHEMBL4614280 0.75 PTGS2 (0.81) PTGS2PTGS1ALOX5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0883616-B1 DIHYDROBENZOFURAN AND RELATED COMPOUNDS USEFUL AS ANTI-INFLAMMATORY AGENTS UNIV VANDERBILT (US) 2004-08-25 EP disclosed
US-5981547-A FOR TREATING INFLAMMATION OR PAIN THE PROCTER & GAMBLE COMPANY (US) 1999-11-09 US disclosed
US-5972957-A ANALGESICS AND ANTIARTHRITIC AGENT THE PROCTER & GAMBLE COMPANY (US) 1999-10-26 US disclosed
US-5821250-A Dihydrobenzofuran and related compounds useful as anti-inflammatory agents THE PROCTER & GAMBLE COMPANY (US) 1998-10-13 US disclosed
US-5672620-A ANALGESICS, ANTIARTHRITIC AGENT THE PROCTER & GAMBLE COMPANY (US) 1997-09-30 US disclosed