SCHEMBL6997325

SCHEMBL6997325

CSc1ccc(C2=C(c3ccc(F)cc3)C(=O)C(C)(C)O2)c(F)c1

nearest known ligand 0.41

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 9/20 0.36
PTGS1 P23219 7/20 0.36
NR3C1 P04150 1/20 0.33
PGR P06401 1/20 0.33
NR3C2 P08235 1/20 0.33
PDE3B Q13370 2/20 0.32
PDE3A Q14432 2/20 0.32
GCGR P47871 2/20 0.32
MAPK14 Q16539 2/20 0.32
AKR1C3 P42330 1/20 0.31
AKR1C2 P52895 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
SCHEMBL6995715 0.90 PTGS2 (0.43) PTGS2PTGS1PDE3BPDE3AAKR1C3
SCHEMBL6999283 0.90 PTGS2 (0.33) PTGS2PTGS1PGRPDE3BPDE3A
SCHEMBL6998165 0.89 PTGS2 (0.36) PTGS2PTGS1PGRPDE3BPDE3A
SCHEMBL7000928 0.89 BRAF (0.35) PTGS2PTGS1PGRNR3C2PDE3B
SCHEMBL6996854 0.88 KDM4E (0.33) PTGS2PTGS1NR3C1PGRNR3C2
SCHEMBL6996567 0.87 PTGS2 (0.40) PTGS2PTGS1PGRPDE3BPDE3A
SCHEMBL7000841 0.87 BRAF (0.35) PTGS2PTGS1PDE3BPDE3A
SCHEMBL13430692 0.84 NR3C1 (0.30) NR3C1PGRNR3C2
SCHEMBL7001219 0.83 PTGS2 (0.34) PTGS2PTGS1PGRPDE3BPDE3A
SCHEMBL6996397 0.83 GSK3B (0.43) PTGS2PTGS1PGRAKR1C3AKR1C2

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 8 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-A1 4,5-DIARYL-3(2H)-FURANONE DERIVATIVES AS CYCLOOXYGENASE-2 INHIBITORS PACIFIC CORPORATION (KR) 2001-06-27 EP claimed
WO-2000061571-A1 4,5-DIARYL-3(2H)-FURANONE DERIVATIVES AS CYCLOOXYGENASE-2 INHIBITORS PACIFIC CORPORATION (KR) 2000-10-19 WO 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
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