SCHEMBL6997258

SCHEMBL6997258

C[S+]([O-])c1ccc(C2=C(c3ccccc3)C(=O)C(C)(C)O2)cc1

nearest known ligand 0.48

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 15/20 0.37
PTGS1 P23219 8/20 0.37
HK2 P52789 1/20 0.35
ABCB11 O95342 1/20 0.31
ALDH1A1 P00352 1/20 0.31
MT-CO2 P00403 1/20 0.31
HTR1A P08908 1/20 0.31
ADORA3 P0DMS8 1/20 0.31
MC4R P32245 1/20 0.31
NPC1 O15118 1/20 0.31
RAB9A P51151 1/20 0.31
LPL P06858 1/20 0.31
LIPG Q9Y5X9 1/20 0.31
IDO1 P14902 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
SCHEMBL6996376 0.87 PTGS2 (0.38) PTGS2PTGS1ALDH1A1LPLLIPG
SCHEMBL6995357 0.85 KDM4E (0.33) ALDH1A1
SCHEMBL6997590 0.84 PGR (0.43) PTGS2PTGS1ALDH1A1
SCHEMBL6997285 0.84 PTGS2 (0.47) PTGS2PTGS1
SCHEMBL7003223 0.83 PTGS2 (0.33) PTGS2PTGS1HK2
SCHEMBL7002480 0.83 BRAF (0.36) PTGS2NPC1RAB9AIDO1
SCHEMBL6999796 0.82 PTGS2 (0.39) PTGS2PTGS1
SCHEMBL7003700 0.81 PGR (0.37) PTGS2PTGS1
SCHEMBL6996452 0.81 HK2 (0.33) PTGS2PTGS1HK2
SCHEMBL6992989 0.81 PTGS2 (0.32) PTGS2PTGS1HK2

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 6 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