SCHEMBL27628472

SCHEMBL27628472

O=C(O)C1=Cc2cc(OCc3ccccc3)cc(Cl)c2OC1C(F)(F)F.[NaH]

nearest known ligand 0.66

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 19/20 0.66
PTGS1 P23219 19/20 0.66

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
SCHEMBL5647527 0.90 PTGS1 (0.55) PTGS2PTGS1
SCHEMBL5643690 0.87 PTGS2 (0.55) PTGS2PTGS1
SCHEMBL5647291 0.84 PTGS2 (0.73) PTGS2PTGS1
SCHEMBL5645496 0.83 PTGS1 (0.70) PTGS2PTGS1
SCHEMBL5647269 0.82 PTGS2 (0.73) PTGS2PTGS1
SCHEMBL5172924 0.80 PTGS2 (1.00) PTGS2PTGS1
SCHEMBL27471694 0.78 PTGS2 (0.71) PTGS2PTGS1
SCHEMBL6095003 0.78 PTGS2 (0.63) PTGS2PTGS1
SCHEMBL6093408 0.78 PTGS2 (0.63) PTGS2PTGS1
SCHEMBL5646972 0.78 PTGS2 (0.67) 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
CN-1768050-A Benzopyran compounds for the treatment of inflammation PHARMACIA CORP (US) 2006-05-03 CN claimed
CN-1768050-A Benzopyran compounds for the treatment of inflammation PHARMACIA CORP (US) 2006-05-03 CN disclosed