SCHEMBL5991306

SCHEMBL5991306

O=C(O)C1=Cc2cccc(OCc3ccoc3)c2OC1C(F)(F)CF

nearest known ligand 0.36

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 16/20 0.36
PTGS1 P23219 15/20 0.36
MRGPRX4 Q96LA9 1/20 0.33
RXRA P19793 2/20 0.33
RXRB P28702 2/20 0.33
RXRG P48443 2/20 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
SCHEMBL5645476 0.91 PTGS2 (0.45) PTGS2PTGS1
SCHEMBL5991307 0.84 MRGPRX4 (0.33) PTGS2PTGS1MRGPRX4RXRARXRB
SCHEMBL5644337 0.79 PTGS2 (0.49) PTGS2PTGS1
SCHEMBL6094295 0.72 PTGS2 (0.54) PTGS2PTGS1
SCHEMBL6093455 0.72 PTGS2 (0.54) PTGS2PTGS1
SCHEMBL5645391 0.70 PTGS2 (0.53) PTGS2PTGS1
SCHEMBL5646153 0.70 PTGS2 (0.54) PTGS2PTGS1
SCHEMBL6790596 0.66 PTGS2 (0.45) PTGS2PTGS1
SCHEMBL31539107 0.65 PTGS2 (0.55) PTGS2PTGS1
SCHEMBL5647228 0.64 PTGS2 (0.44) PTGS2PTGS1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1615905-A2 BENZOPYRAN COMPOUNDS USEFUL FOR TREATING INFLAMMATORY CONDITIONS Pharmacia Corporation (US) 2006-01-18 EP disclosed
WO-2004087686-A2 BENZOPYRAN COMPOUNDS USEFUL FOR TREATING INFLAMMATORY CONDITIONS PHARMACIA CORPORATION (US) 2004-10-14 WO disclosed