SCHEMBL6996578

SCHEMBL6996578

CC1(C)OC(c2ccc(S(C)(=O)=O)c(F)c2)=C(c2cccc(C(F)(F)F)c2)C1=O

nearest known ligand 0.50

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ELANE P08246 2/20 0.40
PTGS2 P35354 5/20 0.40
PTGS1 P23219 2/20 0.40
ALOX5AP P20292 2/20 0.36
FEN1 P39748 2/20 0.36
DDR1 Q08345 1/20 0.35
PGR P06401 1/20 0.34
NR1H2 P55055 1/20 0.33
NR1H3 Q13133 1/20 0.33
SLC11A2 P49281 1/20 0.33

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
SCHEMBL6994669 0.91 PTGES2 (0.39) PTGS2PTGS1ALOX5APFEN1PGR
SCHEMBL7001146 0.90 PTGS2 (0.38) ELANEPTGS2PTGS1DDR1PGR
SCHEMBL6999477 0.89 ALOX5AP (0.38) PTGS2PTGS1ALOX5APFEN1
SCHEMBL6995539 0.89 PTGS2 (0.37) ELANEPTGS2PTGS1PGRSLC11A2
SCHEMBL6997576 0.87 PTGS2 (0.53) PTGS2PTGS1PGR
SCHEMBL6992554 0.86 PTGS2 (0.40) PTGS2PTGS1
SCHEMBL6998443 0.85 PTGS2 (0.41) PTGS2PTGS1PGR
SCHEMBL6996469 0.85 PTGS2 (0.50) ELANEPTGS2PTGS1
SCHEMBL7002751 0.84 PTGS2 (0.47) PTGS2PTGS1PGR
SCHEMBL6999195 0.83 PGR (0.41) PTGS2PTGS1PGR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1109799-B1 4,5-DIARYL-3(2H)-FURANONE DERIVATIVES AS CYCLOOXYGENASE-2 INHIBITORS PACIFIC CORP (KR) 2003-12-17 EP claimed
US-6492416-B1 TREATING INFLAMMATION AND ASSOCIATED DISORDERS PACIFIC CORPORATION (KR) 2002-12-10 US claimed
EP-1109799-B1 4,5-DIARYL-3(2H)-FURANONE DERIVATIVES AS CYCLOOXYGENASE-2 INHIBITORS PACIFIC CORP (KR) 2003-12-17 EP disclosed
US-6492416-B1 TREATING INFLAMMATION AND ASSOCIATED DISORDERS PACIFIC CORPORATION (KR) 2002-12-10 US disclosed