SCHEMBL6997397

SCHEMBL6997397

CSc1ccc(C2=C(c3cc(F)cc(F)c3)C(=O)C(C)(C)O2)cc1

nearest known ligand 0.52

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 11/20 0.38
PTGS1 P23219 7/20 0.35
PGR P06401 5/20 0.34
NR3C1 P04150 1/20 0.32
NR3C2 P08235 1/20 0.32
AR P10275 1/20 0.32
KDM4E B2RXH2 1/20 0.32
ALDH1A1 P00352 1/20 0.32
GLA P06280 1/20 0.32
GAA P10253 1/20 0.32
MAPT P10636 1/20 0.32
HPGD P15428 1/20 0.32
RAB9A P51151 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32

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
SCHEMBL6997433 0.88 PTGS2 (0.46) PTGS2PTGS1PGRALDH1A1
SCHEMBL6999283 0.85 PTGS2 (0.33) PTGS2PTGS1PGR
SCHEMBL6995774 0.83 PTGS2 (0.36) PTGS2PTGS1PGRNR3C1NR3C2
SCHEMBL6998059 0.83 PTGS2 (0.36) PTGS2PTGS1PGRNR3C1NR3C2
SCHEMBL7002613 0.83 PGR (0.32) PTGS2PGR
SCHEMBL7002037 0.82 BRAF (0.35) PTGS2PTGS1MAPT
SCHEMBL6994402 0.82 PTGS2 (0.58) PTGS2PTGS1KDM4EALDH1A1GLA
SCHEMBL6997789 0.81 PTGS2 (0.34) PTGS2PTGS1PGR
SCHEMBL7002303 0.81 PGR (0.35) PTGS2PTGS1PGRNR3C1NR3C2
SCHEMBL6995425 0.80 PTGS2 (0.59) 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 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