SCHEMBL27628490

SCHEMBL27628490

CCc1cc(OC(F)(F)F)cc2c1OC(C(F)(F)F)C(C(=O)O)=C2.[NaH]

nearest known ligand 0.98

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 20/20 0.98
PTGS1 P23219 15/20 0.98

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
SCHEMBL27628489 1.00 PTGS2 (0.98) PTGS2PTGS1
SCHEMBL27628390 1.00 PTGS2 (0.98) PTGS2PTGS1
SCHEMBL5172024 0.99 PTGS2 (1.00) PTGS2PTGS1
SCHEMBL5172023 0.99 PTGS2 (1.00) PTGS2PTGS1
SCHEMBL5172247 0.99 PTGS2 (1.00) PTGS2PTGS1
SCHEMBL5171215 0.99 PTGS2 (1.00) PTGS2PTGS1
SCHEMBL5644933 0.92 PTGS2 (1.00) PTGS2PTGS1
SCHEMBL5644294 0.92 PTGS2 (1.00) PTGS2PTGS1
SCHEMBL5646984 0.92 PTGS2 (1.00) PTGS2PTGS1
Pyridine SCHEMBL5644548 0.92 PTGS2 (0.86) 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