SCHEMBL6997775

SCHEMBL6997775

CCC1(C)OC(c2ccc(S(C)(=O)=O)cc2)=C(c2ccc(C(C)C)cc2)C1=O

nearest known ligand 0.55

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 19/20 0.55
PTGS1 P23219 8/20 0.41

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
SCHEMBL6999807 0.88 PTGS2 (0.53) PTGS2PTGS1
SCHEMBL6993224 0.88 PTGS2 (0.47) PTGS2PTGS1
SCHEMBL6999875 0.88 PTGS2 (0.48) PTGS2PTGS1
SCHEMBL6997240 0.87 PTGS2 (0.44) PTGS2PTGS1
SCHEMBL6993993 0.87 PTGS2 (0.53) PTGS2PTGS1
SCHEMBL6999474 0.86 PTGS2 (0.54) PTGS2PTGS1
SCHEMBL6993661 0.85 PTGS2 (0.46) PTGS2PTGS1
SCHEMBL6998108 0.85 PTGS2 (0.55) PTGS2PTGS1
SCHEMBL7004772 0.85 PTGS2 (0.59) PTGS2PTGS1
SCHEMBL7002115 0.85 PTGS2 (0.56) 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 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