SCHEMBL7001623

SCHEMBL7001623

C[S+]([O-])c1ccc(C2=C(c3ccc(Cl)cc3)C(=O)C(C)(C)O2)cc1Cl

nearest known ligand 0.38

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PGR P06401 2/20 0.34
PTGS2 P35354 6/20 0.34
NR3C1 P04150 1/20 0.32
NR3C2 P08235 1/20 0.32
AR P10275 1/20 0.32
MAPT P10636 1/20 0.31
PTGS1 P23219 3/20 0.31

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
SCHEMBL6992989 0.92 PTGS2 (0.32) PGRPTGS2PTGS1
SCHEMBL7003571 0.91 PTGS2 (0.33) PGRPTGS2NR3C1NR3C2AR
SCHEMBL6994777 0.89 PGR (0.40) PGRPTGS2PTGS1
SCHEMBL6995643 0.89 PTGS2 (0.37) PGRPTGS2NR3C1NR3C2AR
SCHEMBL6995754 0.88 PGR (0.33) PGRPTGS2NR3C1NR3C2AR
SCHEMBL7000038 0.88 PGR (0.33) PGRPTGS2
SCHEMBL6994340 0.87 PTGS2 (0.35) PGRPTGS2NR3C1NR3C2AR
SCHEMBL6992436 0.84 PTGS2 (0.43) PGRPTGS2PTGS1
SCHEMBL6992401 0.83 BRAF (0.37) PGRPTGS2NR3C1NR3C2AR
SCHEMBL6994703 0.82 PTGES (0.34) PGRMAPTPTGS1

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