SCHEMBL6982162

SCHEMBL6982162

C[S+]([O-])c1ccc(-c2oc3cc(F)ccc3c(=O)c2-c2cccc(F)c2)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 4/20 0.44
MAPK14 Q16539 4/20 0.43
PLA2G2A P14555 1/20 0.40
PLA2G4A P47712 1/20 0.40
MAOB P27338 3/20 0.39
GABRP O00591 2/20 0.38
GABRD O14764 2/20 0.38
GABRA1 P14867 2/20 0.38
GABRB1 P18505 2/20 0.38
GABRG2 P18507 2/20 0.38
GABRB3 P28472 2/20 0.38
GABRA5 P31644 2/20 0.38
GABRA3 P34903 2/20 0.38
GABRA2 P47869 2/20 0.38
GABRB2 P47870 2/20 0.38
GABRA4 P48169 2/20 0.38
GABRE P78334 2/20 0.38
GABRA6 Q16445 2/20 0.38
GABRG1 Q8N1C3 2/20 0.38
GABRG3 Q99928 2/20 0.38

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
SCHEMBL6983326 0.91 MAPK14 (0.49) PTGS2MAPK14PLA2G2APLA2G4AMAOB
SCHEMBL6981848 0.87 MAPK14 (0.40) PTGS2MAPK14PLA2G2APLA2G4AMAOB
SCHEMBL6980093 0.85 PTGS2 (0.43) PTGS2MAPK14PLA2G2APLA2G4AMAOB
SCHEMBL6982972 0.81 PTGS2 (0.57) PTGS2MAPK14MAOBPTGS1
SCHEMBL6973175 0.75 PTGS2 (0.69) PTGS2MAPK14PLA2G2APLA2G4APTGS1
SCHEMBL6977374 0.74 GABRP (0.41) PTGS2MAPK14GABRPGABRDGABRA1
SCHEMBL6980058 0.73 PTGS2 (0.69) PTGS2MAPK14PLA2G2APLA2G4AGABRP
SCHEMBL6981287 0.71 PTGS2 (0.60) PTGS2MAPK14MAOBGABRPGABRD
SCHEMBL6979230 0.70 PTGS2 (0.65) PTGS2MAPK14MAOBPTGS1
SCHEMBL1534675 0.70 MAPK14 (0.47) MAPK14PLA2G2APLA2G4AMAOB

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-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