SCHEMBL7001576

SCHEMBL7001576

C[S+]([O-])c1ccc(C2=C(c3cccc(Cl)c3)C(=O)C(C)(C)O2)cc1F

nearest known ligand 0.48

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PGR P06401 10/20 0.38
PTGS2 P35354 4/20 0.34
PTGS1 P23219 2/20 0.34
BRAF P15056 1/20 0.33
BACE1 P56817 2/20 0.31
NR3C1 P04150 1/20 0.31
NR3C2 P08235 1/20 0.31
AR P10275 1/20 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
SCHEMBL6996081 0.89 PTGS2 (0.44) PGRPTGS2PTGS1
SCHEMBL6994777 0.89 PGR (0.40) PGRPTGS2PTGS1
SCHEMBL6995754 0.89 PGR (0.33) PGRPTGS2PTGS1BRAFNR3C1
SCHEMBL6997310 0.89 PTGS2 (0.39) PGRPTGS2PTGS1NR3C1NR3C2
SCHEMBL6997346 0.88 PTGS2 (0.32) PGRPTGS2PTGS1
SCHEMBL7001428 0.87 PGR (0.38) PGR
SCHEMBL6993421 0.87 PGR (0.38) PGRPTGS2PTGS1
SCHEMBL6999940 0.87 PTGS2 (0.36) PGRPTGS2PTGS1NR3C1NR3C2
SCHEMBL6999902 0.85 PGR (0.34) PGRPTGS2PTGS1BACE1
SCHEMBL6995643 0.85 PTGS2 (0.37) PGRPTGS2PTGS1BRAFNR3C1

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