SCHEMBL6997868

SCHEMBL6997868

CCC1(C)OC(c2ccc(S(N)(=O)=O)cc2)=C(c2ccc(F)o2)C1=O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.40
MEN1 O00255 3/20 0.40
KMT2A Q03164 3/20 0.40
L3MBTL1 Q9Y468 3/20 0.40
PKM P14618 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
PTGS2 P35354 10/20 0.37
CA1 P00915 2/20 0.36
CA2 P00918 2/20 0.36
CA12 O43570 1/20 0.36
CA9 Q16790 1/20 0.36
PTGS1 P23219 5/20 0.35
ALDH1A1 P00352 2/20 0.34
MAOA P21397 1/20 0.34
MAOB P27338 1/20 0.34
G6PD P11413 1/20 0.34
GFER P55789 1/20 0.34
POLB P06746 2/20 0.33
KLKB1 P03952 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
SCHEMBL7006397 0.90 PTGS2 (0.42) PTGS2PTGS1
SCHEMBL6996057 0.86 KDM4E (0.43) KDM4EMEN1KMT2AL3MBTL1PKM
SCHEMBL7002929 0.84 PTGS2 (0.47) PTGS2CA1CA2CA12CA9
SCHEMBL7001383 0.83 PTGS2 (0.36) KDM4EMEN1KMT2AL3MBTL1PKM
SCHEMBL7001200 0.82 PTGS2 (0.43) PTGS2PTGS1MAOAMAOB
SCHEMBL6997291 0.81 PTGS2 (0.37) KDM4EMEN1KMT2AL3MBTL1PKM
SCHEMBL6998817 0.81 KDM4E (0.38) KDM4EMEN1KMT2AL3MBTL1PKM
SCHEMBL7000289 0.81 PTGS2 (0.46) PTGS2CA1CA2PTGS1
SCHEMBL7002870 0.80 PTGS2 (0.51) PTGS2CA1CA2CA12CA9
SCHEMBL6993143 0.79 PTGS2 (0.52) PTGS2CA1CA2CA12CA9

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 4 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-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