SCHEMBL6975908

SCHEMBL6975908

Cc1ccc(-c2c(-c3ccc(S(C)(=O)=O)cc3)oc3ccccc3c2=O)cn1

nearest known ligand 0.62

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 13/20 0.59
MAPK14 Q16539 2/20 0.48
PLA2G2A P14555 1/20 0.45
PLA2G4A P47712 1/20 0.45
PTGS1 P23219 1/20 0.45
LMNA P02545 1/20 0.43
TP53 P04637 1/20 0.43
RET P07949 1/20 0.43
TSHR P16473 1/20 0.43
ALOX12 P18054 1/20 0.43
KDR P35968 1/20 0.43
HTT P42858 1/20 0.43
KDM4E B2RXH2 1/20 0.42
ALDH1A1 P00352 1/20 0.42

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
SCHEMBL6979775 0.90 PTGS2 (0.58) PTGS2MAPK14PLA2G2APLA2G4APTGS1
SCHEMBL6975494 0.88 PTGS2 (0.64) PTGS2MAPK14PLA2G2APLA2G4APTGS1
SCHEMBL6975754 0.88 PTGS2 (0.58) PTGS2MAPK14PLA2G2APLA2G4APTGS1
SCHEMBL6972292 0.87 PTGS2 (0.54) PTGS2MAPK14PTGS1
SCHEMBL6980251 0.87 PTGS2 (0.60) PTGS2MAPK14PLA2G2APLA2G4APTGS1
SCHEMBL6981218 0.86 PTGS2 (0.59) PTGS2MAPK14PLA2G2APLA2G4APTGS1
SCHEMBL6978281 0.86 L3MBTL1 (0.57) PTGS2MAPK14PLA2G2APLA2G4APTGS1
SCHEMBL6973940 0.84 PTGS2 (0.69) PTGS2MAPK14PLA2G2APLA2G4APTGS1
SCHEMBL6974845 0.84 PTGS2 (0.72) PTGS2MAPK14PLA2G2APLA2G4APTGS1
SCHEMBL6979278 0.82 MAPK14 (0.71) PTGS2MAPK14PLA2G2APLA2G4APTGS1

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-1105384-B1 DIARYLBENZOPYRAN DERIVATIVES AS CYCLOOXYGENASE-2 INHIBITORS PACIFIC CORP (KR) 2003-03-26 EP claimed
US-6340694-B1 Diarylbenzopyran derivatives as cyclooxygenase-2 inhibitors PACIFIC CORPORATION (KR) 2002-01-22 US claimed
CN-1323301-A Diarylbenzopyran derivatives as cyclooxygenase-2 inhibitors PACIFIC CORP (KR) 2001-11-21 CN claimed
EP-1105384-A1 DIARYLBENZOPYRAN DERIVATIVES AS CYCLOOXYGENASE-2 INHIBITORS PACIFIC CORPORATION (KR) 2001-06-13 EP claimed
WO-2000010993-A1 DIARYLBENZOPYRAN DERIVATIVES AS CYCLOOXYGENASE-2 INHIBITORS PACIFIC CORPORATION (KR) 2000-03-02 WO claimed
EP-1105384-B1 DIARYLBENZOPYRAN DERIVATIVES AS CYCLOOXYGENASE-2 INHIBITORS PACIFIC CORP (KR) 2003-03-26 EP disclosed
US-6340694-B1 Diarylbenzopyran derivatives as cyclooxygenase-2 inhibitors PACIFIC CORPORATION (KR) 2002-01-22 US disclosed
CN-1323301-A Diarylbenzopyran derivatives as cyclooxygenase-2 inhibitors PACIFIC CORP (KR) 2001-11-21 CN disclosed
EP-1105384-A1 DIARYLBENZOPYRAN DERIVATIVES AS CYCLOOXYGENASE-2 INHIBITORS PACIFIC CORPORATION (KR) 2001-06-13 EP disclosed
WO-2000010993-A1 DIARYLBENZOPYRAN DERIVATIVES AS CYCLOOXYGENASE-2 INHIBITORS PACIFIC CORPORATION (KR) 2000-03-02 WO disclosed