SCHEMBL6995539

SCHEMBL6995539

CC1(C)OC(c2ccc(S(C)(=O)=O)c(Cl)c2)=C(c2cccc(C(F)(F)F)c2)C1=O

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 5/20 0.37
PTGS1 P23219 4/20 0.37
CDK1 P06493 1/20 0.35
CCNB1 P14635 1/20 0.35
CCNA2 P20248 1/20 0.35
CCND1 P24385 1/20 0.35
CDK2 P24941 1/20 0.35
CDK7 P50613 1/20 0.35
CCNH P51946 1/20 0.35
CCNA1 P78396 1/20 0.35
CDK6 Q00534 1/20 0.35
PTGES O14684 1/20 0.35
PGR P06401 1/20 0.34
BACE1 P56817 1/20 0.34
ELANE P08246 2/20 0.33
MAPT P10636 1/20 0.33
SLC11A2 P49281 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
SCHEMBL7001278 0.91 PTGES2 (0.38) PTGS1CDK1CCNB1CCNA2CCND1
SCHEMBL7001146 0.89 PTGS2 (0.38) PTGS2PTGS1PGRBACE1ELANE
SCHEMBL6996578 0.89 ELANE (0.40) PTGS2PTGS1PGRELANESLC11A2
SCHEMBL6993381 0.86 PTGS2 (0.51) PTGS2PTGS1PGR
SCHEMBL6999980 0.86 PGR (0.40) PTGS2PTGS1PGR
SCHEMBL6995110 0.85 PTGS2 (0.40) PTGS2PTGS1
SCHEMBL6996469 0.84 PTGS2 (0.50) PTGS2PTGS1ELANE
SCHEMBL6994703 0.83 PTGES (0.34) PTGS1PTGESPGRBACE1MAPT
SCHEMBL6999681 0.82 PTGS2 (0.37) PTGS2PTGS1PTGESPGRBACE1
SCHEMBL6996451 0.82 PTGS2 (0.44) PTGS2PTGS1PGR

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