SCHEMBL6978281

SCHEMBL6978281

COc1ccc(-c2c(-c3ccc(S(C)(=O)=O)cc3)oc3ccccc3c2=O)cn1

nearest known ligand 0.59

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.57
PTGS2 P35354 7/20 0.56
ALDH1A1 P00352 3/20 0.48
MEN1 O00255 2/20 0.48
KMT2A Q03164 2/20 0.48
LMNA P02545 1/20 0.48
MAPT P10636 1/20 0.48
HPGD P15428 1/20 0.48
ALOX15 P16050 1/20 0.48
HTT P42858 1/20 0.48
KCNH2 Q12809 1/20 0.46
MAPK14 Q16539 2/20 0.46
ABCG2 Q9UNQ0 2/20 0.46
KDM4E B2RXH2 2/20 0.44
CYP3A4 P08684 1/20 0.44
HSD17B10 Q99714 1/20 0.44
PTGS1 P23219 3/20 0.43
PLA2G2A P14555 1/20 0.42
PLA2G4A P47712 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
SCHEMBL6981008 0.91 L3MBTL1 (0.56) L3MBTL1PTGS2ALDH1A1MEN1KMT2A
SCHEMBL6969962 0.88 PTGS2 (0.48) L3MBTL1PTGS2MEN1KMT2AKCNH2
SCHEMBL6978114 0.88 PTGS2 (0.51) L3MBTL1PTGS2ALDH1A1MEN1KMT2A
SCHEMBL6975908 0.86 PTGS2 (0.59) PTGS2ALDH1A1LMNAHTTMAPK14
SCHEMBL6975494 0.85 PTGS2 (0.64) PTGS2MAPK14PTGS1PLA2G2APLA2G4A
SCHEMBL6975754 0.85 PTGS2 (0.58) PTGS2ALDH1A1MAPK14PTGS1PLA2G2A
SCHEMBL6980251 0.84 PTGS2 (0.60) PTGS2KCNH2MAPK14PTGS1PLA2G2A
SCHEMBL6971109 0.83 PTGS2 (0.65) L3MBTL1PTGS2ALDH1A1MEN1KMT2A
SCHEMBL6974845 0.81 PTGS2 (0.72) PTGS2MEN1KMT2ALMNAALOX15
SCHEMBL6981218 0.81 PTGS2 (0.59) PTGS2MAPK14PTGS1PLA2G2APLA2G4A

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