SCHEMBL6996483

SCHEMBL6996483

CSc1ccc(C2=C(c3ccccc3)C(=O)C(C)(C)O2)cc1Cl

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 8/20 0.38
ALDH1A1 P00352 3/20 0.33
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
PGR P06401 3/20 0.33
HK2 P52789 1/20 0.32
MAPT P10636 2/20 0.31
KDM4E B2RXH2 1/20 0.31
PTGS1 P23219 5/20 0.31
HPGD P15428 1/20 0.30
NR3C1 P04150 1/20 0.30
NR3C2 P08235 1/20 0.30
AR P10275 1/20 0.30
ALOX5 P09917 1/20 0.30
STK10 O94804 1/20 0.30
SLK Q9H2G2 1/20 0.30
HDAC1 Q13547 1/20 0.30
HDAC8 Q9BY41 1/20 0.30
HDAC6 Q9UBN7 1/20 0.30

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
SCHEMBL6995081 0.91 PGR (0.36) PTGS2ALDH1A1NPC1RAB9APGR
SCHEMBL6994920 0.89 PGR (0.41) PTGS2PGRPTGS1
SCHEMBL7001628 0.89 PGR (0.34) PTGS2ALDH1A1PGRMAPTKDM4E
SCHEMBL7002130 0.87 PTGS2 (0.42) PTGS2PGRPTGS1NR3C1NR3C2
SCHEMBL7000360 0.87 PTGS2 (0.39) PTGS2ALDH1A1HK2KDM4EPTGS1
SCHEMBL7002303 0.85 PGR (0.35) PTGS2PGRPTGS1NR3C1NR3C2
SCHEMBL7001916 0.85 PTGS2 (0.38) PTGS2HK2PTGS1HDAC1HDAC8
SCHEMBL7002491 0.85 PTGS2 (0.38) PTGS2PGRHK2PTGS1HDAC1
SCHEMBL6999681 0.84 PTGS2 (0.37) PTGS2PGRMAPTPTGS1
SCHEMBL6997965 0.84 PGR (0.38) PTGS2PGRPTGS1NR3C1NR3C2

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