SCHEMBL6995734

SCHEMBL6995734

CCC1(CC)OC(c2cccc(S(C)(=O)=O)c2)=C(Br)C1=O

nearest known ligand 0.36

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
LOXL2 Q9Y4K0 2/20 0.36
CTSS P25774 1/20 0.36
CTSK P43235 1/20 0.36
LOX P28300 2/20 0.35
BRD4 O60885 1/20 0.34
CREBBP Q92793 1/20 0.34
PTGS2 P35354 5/20 0.34
PTGS1 P23219 2/20 0.34
NR1H2 P55055 3/20 0.33
NR1H3 Q13133 2/20 0.33
TBK1 Q9UHD2 1/20 0.33
GRIA2 P42262 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
SCHEMBL7002044 0.84 PTGS2 (0.42) PTGS2PTGS1
SCHEMBL7001149 0.72 PTGS2 (0.45) PTGS2PTGS1
SCHEMBL7001779 0.70 PTGS2 (0.54) PTGS2PTGS1
SCHEMBL6996596 0.70 PTGS2 (0.42) PTGS2PTGS1
SCHEMBL6997838 0.70 PTGS2 (0.58) PTGS2PTGS1
SCHEMBL7140753 0.69 PTGS2 (0.49) PTGS2PTGS1
SCHEMBL6998575 0.69 PTGS2 (0.43) PTGS2PTGS1
SCHEMBL7653802 0.68 PTGS2 (0.47) PTGS2PTGS1
SCHEMBL6243674 0.68 KCNH2 (0.50) LOXL2CTSSCTSKPTGS2NR1H2
SCHEMBL6994268 0.68 PTGS2 (0.46) PTGS2PTGS1

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 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