SCHEMBL6995348

SCHEMBL6995348

CC(=O)c1cc(C2=C(c3ccc([S+](C)[O-])cc3)OC(C)(C)C2=O)cc(C(F)(F)F)c1

nearest known ligand 0.42

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
RXRA P19793 3/20 0.42
RXRB P28702 3/20 0.42
RXRG P48443 2/20 0.42
KIF11 P52732 1/20 0.32
BACE1 P56817 1/20 0.30

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
SCHEMBL7002795 0.87 RXRA (0.42) RXRARXRBRXRGKIF11
SCHEMBL6996692 0.86 RXRA (0.42) RXRARXRBRXRGKIF11
SCHEMBL6993265 0.85 PGR (0.41) RXRARXRBRXRG
SCHEMBL6993481 0.84 NOTUM (0.36)
SCHEMBL6994363 0.83 PDE3B (0.34) KIF11
SCHEMBL7003700 0.82 PGR (0.37) RXRABACE1
SCHEMBL6999796 0.77 PTGS2 (0.39)
SCHEMBL6999589 0.76 PTGS2 (0.45) KIF11
SCHEMBL6995357 0.74 KDM4E (0.33)
SCHEMBL6996376 0.74 PTGS2 (0.38)

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 6 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
EP-1109799-A1 4,5-DIARYL-3(2H)-FURANONE DERIVATIVES AS CYCLOOXYGENASE-2 INHIBITORS PACIFIC CORPORATION (KR) 2001-06-27 EP disclosed
WO-2000061571-A1 4,5-DIARYL-3(2H)-FURANONE DERIVATIVES AS CYCLOOXYGENASE-2 INHIBITORS PACIFIC CORPORATION (KR) 2000-10-19 WO disclosed