SCHEMBL6999980

SCHEMBL6999980

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

nearest known ligand 0.48

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PGR P06401 5/20 0.40
PTGS2 P35354 8/20 0.40
PTGS1 P23219 4/20 0.40
RAB9A P51151 1/20 0.38
KMT2A Q03164 1/20 0.38
HSP90AA1 P07900 1/20 0.35
HSP90AB1 P08238 1/20 0.35
NAT1 P18440 1/20 0.34
PIK3CD O00329 1/20 0.34
PIK3CA P42336 1/20 0.34
PIK3CB P42338 1/20 0.34
PIK3CG P48736 1/20 0.34

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
SCHEMBL6999791 0.90 PGR (0.40) PGRPTGS2PTGS1HSP90AA1HSP90AB1
SCHEMBL6995110 0.90 PTGS2 (0.40) PTGS2PTGS1PIK3CDPIK3CAPIK3CB
SCHEMBL6993381 0.89 PTGS2 (0.51) PGRPTGS2PTGS1
SCHEMBL6997500 0.89 PGR (0.39) PGRPTGS2PTGS1RAB9AKMT2A
SCHEMBL6998443 0.89 PTGS2 (0.41) PGRPTGS2PTGS1RAB9AKMT2A
SCHEMBL6998000 0.88 PTGS2 (0.42) PGRPTGS2PTGS1RAB9APIK3CD
SCHEMBL6996451 0.86 PTGS2 (0.44) PGRPTGS2PTGS1
SCHEMBL6995539 0.86 PTGS2 (0.37) PGRPTGS2PTGS1
SCHEMBL7002333 0.85 PTGS2 (0.50) PGRPTGS2PTGS1
SCHEMBL6995345 0.84 PTGS2 (0.41) PTGS2PTGS1PIK3CDPIK3CAPIK3CB

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