SCHEMBL6998000

SCHEMBL6998000

CC1(C)OC(c2ccc(S(C)(=O)=O)c(Cl)c2)=C(c2ccc(Cl)cc2)C1=O

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 11/20 0.42
PTGS1 P23219 6/20 0.38
PIK3CD O00329 1/20 0.36
PIK3CA P42336 1/20 0.36
PIK3CB P42338 1/20 0.36
PIK3CG P48736 1/20 0.36
PGR P06401 2/20 0.35
CCR2 P41597 2/20 0.34
KDM4E B2RXH2 1/20 0.34
ALDH1A1 P00352 1/20 0.34
RAB9A P51151 1/20 0.34
NR3C1 P04150 1/20 0.33
NR3C2 P08235 1/20 0.33
AR P10275 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
SCHEMBL6995110 0.91 PTGS2 (0.40) PTGS2PTGS1PIK3CDPIK3CAPIK3CB
SCHEMBL6995345 0.90 PTGS2 (0.41) PTGS2PTGS1PIK3CDPIK3CAPIK3CB
SCHEMBL7003225 0.89 PTGS2 (0.40) PTGS2PTGS1PGR
SCHEMBL6999980 0.88 PGR (0.40) PTGS2PTGS1PIK3CDPIK3CAPIK3CB
SCHEMBL6996451 0.88 PTGS2 (0.44) PTGS2PTGS1PGRNR3C1NR3C2
SCHEMBL6997842 0.88 PTGS2 (0.40) PTGS2PTGS1PIK3CDPIK3CAPIK3CB
SCHEMBL7001857 0.88 PTGS2 (0.40) PTGS2PTGS1PIK3CDPIK3CAPIK3CB
SCHEMBL7003155 0.87 PTGS2 (0.43) PTGS2PTGS1PIK3CDPIK3CAPIK3CB
SCHEMBL6993381 0.84 PTGS2 (0.51) PTGS2PTGS1PGR
SCHEMBL7001382 0.83 BRAF (0.42) PTGS2PTGS1PGRCCR2NR3C1

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