SCHEMBL6995128

SCHEMBL6995128

CCC1(CC)OC(c2ccc(SC)cc2)=CC1=O

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 6/20 0.38
SIGMAR1 Q99720 2/20 0.35
ALDH1A1 P00352 3/20 0.35
POLB P06746 1/20 0.35
MMP2 P08253 1/20 0.34
MMP9 P14780 1/20 0.34
MMP8 P22894 1/20 0.34
PTGS1 P23219 2/20 0.33
MAPT P10636 2/20 0.33
KDM4E B2RXH2 1/20 0.33
GLA P06280 1/20 0.33
GAA P10253 1/20 0.33
HPGD P15428 1/20 0.33
RAB9A P51151 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
SLC6A4 P31645 3/20 0.33
MMP12 P39900 1/20 0.32
MMP13 P45452 1/20 0.32
DRD2 P14416 1/20 0.32
HTT P42858 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
SCHEMBL6994616 0.83 SIGMAR1 (0.46) PTGS2SIGMAR1ALDH1A1POLBMMP2
SCHEMBL6999022 0.79 PTGS2 (0.41) PTGS2SIGMAR1ALDH1A1POLBMMP2
SCHEMBL27484130 0.77 SIGMAR1 (0.35) SIGMAR1DRD2
SCHEMBL7000220 0.75 SIGMAR1 (0.47) PTGS2SIGMAR1ALDH1A1PTGS1HPGD
SCHEMBL6993536 0.74 SIGMAR1 (0.49) PTGS2SIGMAR1ALDH1A1HPGDRAB9A
SCHEMBL7002291 0.73 SIGMAR1 (0.48) PTGS2SIGMAR1ALDH1A1HPGDRAB9A
SCHEMBL7001085 0.64 PTGS2 (0.42) PTGS2ALDH1A1PTGS1MAPTKDM4E
SCHEMBL7490121 0.62 PTGS2 (0.41) PTGS2ALDH1A1POLBMMP2MMP9
SCHEMBL9934395 0.62 SLC6A4 (0.50) KDM4ESMN1; SMN2SLC6A4MMP12MMP13
SCHEMBL10300271 0.61 ALDH1A1 (0.50) PTGS2ALDH1A1PTGS1SLC6A4MMP12

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