SCHEMBL27628385

SCHEMBL27628385

NCc1ccc(-c2cc(Cl)cc3c2OC(C(F)(F)F)C(C(=O)O)=C3)cc1

nearest known ligand 0.84

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 19/20 0.84
PTGS1 P23219 17/20 0.84

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
SCHEMBL27648327 1.00 PTGS2 (0.84) PTGS2PTGS1
SCHEMBL27648371 1.00 PTGS2 (0.84) PTGS2PTGS1
Trifluoroacetic Acid SCHEMBL5766964 0.97 PTGS2 (0.79) PTGS2PTGS1
SCHEMBL5769976 0.91 PTGS2 (1.00) PTGS2PTGS1
SCHEMBL27648317 0.91 PTGS2 (0.75) PTGS2PTGS1
SCHEMBL5647523 0.89 PTGS2 (1.00) PTGS2PTGS1
SCHEMBL5646657 0.89 PTGS2 (1.00) PTGS2PTGS1
SCHEMBL5645040 0.89 PTGS2 (1.00) PTGS2PTGS1
SCHEMBL6094243 0.89 PTGS2 (1.00) PTGS2PTGS1
SCHEMBL6094252 0.89 PTGS2 (1.00) 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