SCHEMBL6994703

SCHEMBL6994703

C[S+]([O-])c1ccc(C2=C(c3cccc(C(F)(F)F)c3)C(=O)C(C)(C)O2)cc1Cl

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGES O14684 1/20 0.34
PTGS1 P23219 1/20 0.34
BACE1 P56817 3/20 0.33
PGR P06401 1/20 0.33
MAPT P10636 1/20 0.33
RORC P51449 1/20 0.32
RORB Q92753 1/20 0.32
CTSD P07339 1/20 0.32
CASP3 P42574 1/20 0.32
NOTUM Q6P988 1/20 0.32
BRD4 O60885 1/20 0.31
KDM4E B2RXH2 1/20 0.31
LMNA P02545 1/20 0.31
CYP1A2 P05177 1/20 0.31
CYP3A4 P08684 1/20 0.31
CYP2C9 P11712 1/20 0.31
CYP2C19 P33261 1/20 0.31
HTT P42858 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
NLRP3 Q96P20 1/20 0.31

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
SCHEMBL6999902 0.89 PGR (0.34) PTGESPTGS1BACE1PGRCTSD
SCHEMBL6994061 0.88 PGR (0.33) BACE1PGRCTSDNOTUMBRD4
SCHEMBL6992436 0.87 PTGS2 (0.43) PTGS1PGR
SCHEMBL6994777 0.86 PGR (0.40) PTGS1PGRCYP1A2
SCHEMBL7003700 0.85 PGR (0.37) PTGS1BACE1PGRCTSDNOTUM
SCHEMBL6992989 0.85 PTGS2 (0.32) PTGS1PGR
SCHEMBL6995539 0.83 PTGS2 (0.37) PTGESPTGS1BACE1PGRMAPT
SCHEMBL6995643 0.82 PTGS2 (0.37) PTGS1PGR
SCHEMBL7001278 0.82 PTGES2 (0.38) PTGESPTGS1BACE1PGRMAPT
SCHEMBL7003571 0.82 PTGS2 (0.33) PTGS1PGR

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