SCHEMBL27648337

SCHEMBL27648337

Cc1cc(C)cc(-c2cccc3c2C=C(C(=O)O)C(C(F)(F)F)O3)c1

nearest known ligand 0.56

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 20/20 0.56
PTGS1 P23219 15/20 0.56

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
SCHEMBL5647300 0.81 PTGS2 (0.64) PTGS2PTGS1
SCHEMBL27901009 0.78 PTGS2 (0.60) PTGS2PTGS1
SCHEMBL5644944 0.77 PTGS2 (0.61) PTGS2PTGS1
SCHEMBL5644729 0.77 PTGS2 (0.78) PTGS2PTGS1
SCHEMBL5645274 0.76 PTGS2 (0.67) PTGS2PTGS1
SCHEMBL5643912 0.76 PTGS2 (0.53) PTGS2PTGS1
SCHEMBL6094173 0.76 PTGS2 (0.57) PTGS2PTGS1
SCHEMBL6092923 0.76 PTGS2 (0.57) PTGS2PTGS1
SCHEMBL5645881 0.76 PTGS2 (0.55) PTGS2PTGS1
SCHEMBL5795733 0.76 PTGS2 (0.55) 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