SCHEMBL6994616

SCHEMBL6994616

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

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 2/20 0.46
ALDH1A1 P00352 3/20 0.39
POLB P06746 2/20 0.39
PTGS2 P35354 6/20 0.37
PTGS1 P23219 2/20 0.35
MMP2 P08253 1/20 0.33
MMP9 P14780 1/20 0.33
MMP8 P22894 1/20 0.33
KDM4E B2RXH2 2/20 0.33
HPGD P15428 2/20 0.33
MAPT P10636 2/20 0.32
GLA P06280 1/20 0.32
GAA P10253 1/20 0.32
RAB9A P51151 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
SLC6A4 P31645 2/20 0.32
MEN1 O00255 1/20 0.32
TNNI3 P19429 1/20 0.32
MAPK1 P28482 1/20 0.32
TNNT2 P45379 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
SCHEMBL6995128 0.83 PTGS2 (0.38) SIGMAR1ALDH1A1POLBPTGS2PTGS1
SCHEMBL6999022 0.81 PTGS2 (0.41) SIGMAR1ALDH1A1POLBPTGS2PTGS1
SCHEMBL27548530 0.78 SIGMAR1 (0.45) SIGMAR1POLBMAPTMEN1TNNI3
SCHEMBL27484472 0.78 SIGMAR1 (0.45) SIGMAR1POLBMAPTMEN1TNNI3
SCHEMBL6994618 0.74 SIGMAR1 (0.41) SIGMAR1ALDH1A1KDM4EHPGDMAPT
SCHEMBL6993536 0.73 SIGMAR1 (0.49) SIGMAR1ALDH1A1PTGS2HPGDRAB9A
SCHEMBL7002291 0.72 SIGMAR1 (0.48) SIGMAR1ALDH1A1PTGS2HPGDRAB9A
SCHEMBL7004881 0.71 PTGS2 (0.37) ALDH1A1POLBPTGS2PTGS1SLC6A4
SCHEMBL7000220 0.71 SIGMAR1 (0.47) SIGMAR1ALDH1A1PTGS2PTGS1HPGD
SCHEMBL7490121 0.65 PTGS2 (0.41) ALDH1A1POLBPTGS2PTGS1MMP2

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