SCHEMBL7002393

SCHEMBL7002393

CCC1(C)OC(c2ccc([S+](C)[O-])cc2)=CC1=O

nearest known ligand 0.45

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 2/20 0.45
PTGS2 P35354 2/20 0.32
MEN1 O00255 1/20 0.31
POLB P06746 1/20 0.31
MAPT P10636 1/20 0.31
TNNI3 P19429 1/20 0.31
MAPK1 P28482 1/20 0.31
TNNT2 P45379 1/20 0.31
RECQL P46063 1/20 0.31
TNNC1 P63316 1/20 0.31
KMT2A Q03164 1/20 0.31
TLR9 Q9NR96 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
DRD2 P14416 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
SCHEMBL7001594 0.81 SIGMAR1 (0.34) SIGMAR1DRD2
SCHEMBL6994616 0.78 SIGMAR1 (0.46) SIGMAR1PTGS2MEN1POLBMAPT
SCHEMBL27484472 0.77 SIGMAR1 (0.45) SIGMAR1MEN1POLBMAPTTNNI3
SCHEMBL27548530 0.77 SIGMAR1 (0.45) SIGMAR1MEN1POLBMAPTTNNI3
SCHEMBL6999342 0.71 PTGS2 (0.31) PTGS2
SCHEMBL7001248 0.66
SCHEMBL17907429 0.64
SCHEMBL27466570 0.63
SCHEMBL8779728 0.62
SCHEMBL885161 0.61 TP53 (0.42) MAPK1L3MBTL1

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
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