SCHEMBL6999749

SCHEMBL6999749

CC1(C)OC(c2ccc(S(C)(=O)=O)c(Br)c2)=C(c2ccccc2)C1=O

nearest known ligand 0.48

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 14/20 0.40
PTGS1 P23219 10/20 0.40
THRB P10828 2/20 0.36
PIK3CD O00329 1/20 0.35
PIK3CA P42336 1/20 0.35
PIK3CB P42338 1/20 0.35
PIK3CG P48736 1/20 0.35
ABCB11 O95342 1/20 0.35
ALDH1A1 P00352 1/20 0.35
MT-CO2 P00403 1/20 0.35
HTR1A P08908 1/20 0.35
ADORA3 P0DMS8 1/20 0.35
MC4R P32245 1/20 0.35
HK2 P52789 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
SCHEMBL6995570 0.90 MAOB (0.38) PTGS2PTGS1MT-CO2ADORA3HK2
SCHEMBL6997842 0.89 PTGS2 (0.40) PTGS2PTGS1PIK3CDPIK3CAPIK3CB
SCHEMBL6998920 0.89 PTGS2 (0.41) PTGS2PTGS1PIK3CDPIK3CAPIK3CB
SCHEMBL6999183 0.88 PTGS2 (0.42) PTGS2PTGS1THRBABCB11ALDH1A1
SCHEMBL6997500 0.88 PGR (0.39) PTGS2PTGS1PIK3CDPIK3CAPIK3CB
SCHEMBL6996672 0.88 PTGS2 (0.51) PTGS2PTGS1
SCHEMBL6997021 0.86 PTGS2 (0.43) PTGS2PTGS1PIK3CDPIK3CAPIK3CB
SCHEMBL7001146 0.86 PTGS2 (0.38) PTGS2PTGS1
SCHEMBL6992554 0.85 PTGS2 (0.40) PTGS2PTGS1THRBPIK3CDPIK3CA
SCHEMBL6995110 0.85 PTGS2 (0.40) PTGS2PTGS1THRBPIK3CDPIK3CA

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 10 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
CN-1166658-C 4,5 diaryl-3 (2H) -furanone derivatives as cyclooxygenase-2 inhibitors ��ʽ����̫ƽ�� 2004-09-15 CN disclosed
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
CN-1348447-A 4,5 diaryl-3 (2H) -furanone derivatives as cyclooxygenase-2 inhibitors PACIFIC CORP (KR) 2002-05-08 CN 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