SCHEMBL27628347

SCHEMBL27628347

Cc1ccccc1Oc1ccc2c(c1)OC(C(F)(F)F)C(C(=O)O)=C2.[NaH]

nearest known ligand 0.55

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 20/20 0.55
PTGS1 P23219 17/20 0.55

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
SCHEMBL5646025 0.99 PTGS2 (0.56) PTGS2PTGS1
SCHEMBL5647548 0.99 PTGS2 (0.56) PTGS2PTGS1
SCHEMBL5645509 0.99 PTGS2 (0.56) PTGS2PTGS1
SCHEMBL5648509 0.92 PTGS2 (0.55) PTGS2PTGS1
SCHEMBL5644168 0.88 PTGS2 (0.54) PTGS2PTGS1
SCHEMBL5646204 0.88 PTGS2 (0.43) PTGS2PTGS1
SCHEMBL14460117 0.88 NFKB1 (0.46) PTGS2PTGS1
SCHEMBL5645580 0.88 PTGS2 (0.61) PTGS2PTGS1
SCHEMBL5646758 0.87 PTGS2 (0.61) PTGS2PTGS1
SCHEMBL5647836 0.87 PTGS2 (0.61) 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