SCHEMBL7002129

SCHEMBL7002129

CCC1(C)OC(c2ccc(S(C)(=O)=O)cc2)=C(c2cc(OC)c(OC)c(OC)c2)C1=O

nearest known ligand 0.43

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 10/20 0.43
FYN P06241 2/20 0.43
CA12 O43570 1/20 0.41
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
CA9 Q16790 1/20 0.41
PTGS1 P23219 4/20 0.37
KDM4E B2RXH2 1/20 0.37
USP2 O75604 1/20 0.37
GAA P10253 1/20 0.37
HPGD P15428 1/20 0.37
HSD17B10 Q99714 1/20 0.37
ERN1 O75460 1/20 0.37

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
SCHEMBL6996026 0.90 PTGS2 (0.46) PTGS2PTGS1ERN1
SCHEMBL6997361 0.90 PTGS2 (0.44) PTGS2PTGS1
SCHEMBL6995103 0.87 PTGS2 (0.45) PTGS2PTGS1
SCHEMBL7002570 0.85 PTGS2 (0.52) PTGS2PTGS1
SCHEMBL7000686 0.84 PTGS2 (0.46) PTGS2PTGS1
SCHEMBL7003062 0.82 PTGS2 (0.55) PTGS2PTGS1
SCHEMBL6995460 0.82 PTGS2 (0.49) PTGS2PTGS1
SCHEMBL6995070 0.82 PTGS2 (0.45) PTGS2PTGS1
SCHEMBL6999875 0.81 PTGS2 (0.48) PTGS2PTGS1
SCHEMBL7002388 0.81 PTGS2 (0.45) 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