SCHEMBL6975340

SCHEMBL6975340

CC(=O)c1ccc(-c2c(-c3ccc(S(C)(=O)=O)cc3)oc3ccccc3c2=O)cc1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 8/20 0.63
MAPK14 Q16539 2/20 0.49
PLA2G2A P14555 1/20 0.48
PLA2G4A P47712 1/20 0.48
PTGS1 P23219 1/20 0.48
NPC1 O15118 3/20 0.48
RAB9A P51151 3/20 0.48
ALDH1A1 P00352 4/20 0.44
LMNA P02545 3/20 0.44
MEN1 O00255 3/20 0.44
KMT2A Q03164 3/20 0.44
HTT P42858 2/20 0.44
MAPT P10636 2/20 0.44
GAA P10253 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
HPGD P15428 2/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
CYP1A2 P05177 1/20 0.44
CYP2C9 P11712 1/20 0.44
CYP2C19 P33261 1/20 0.44

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
SCHEMBL6973317 0.91 PTGS2 (0.63) PTGS2MAPK14PLA2G2APLA2G4APTGS1
SCHEMBL6974845 0.88 PTGS2 (0.72) PTGS2MAPK14PLA2G2APLA2G4APTGS1
SCHEMBL6978875 0.87 PTGS2 (0.67) PTGS2MAPK14PLA2G2APLA2G4APTGS1
SCHEMBL6977093 0.85 PTGS2 (0.85) PTGS2MAPK14PLA2G2APLA2G4APTGS1
SCHEMBL6973940 0.85 PTGS2 (0.69) PTGS2MAPK14PLA2G2APLA2G4APTGS1
SCHEMBL6970224 0.84 PTGS2 (0.67) PTGS2MAPK14PLA2G2APLA2G4APTGS1
SCHEMBL6979358 0.84 PTGS2 (0.67) PTGS2MAPK14PLA2G2APLA2G4APTGS1
SCHEMBL6978790 0.84 PTGS2 (0.63) PTGS2MAPK14PLA2G2APLA2G4APTGS1
SCHEMBL6979278 0.83 MAPK14 (0.71) PTGS2MAPK14PLA2G2APLA2G4APTGS1
SCHEMBL6971109 0.82 PTGS2 (0.65) PTGS2NPC1RAB9AALDH1A1MEN1

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
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
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
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