SCHEMBL27628602

SCHEMBL27628602

CC(C)Cc1cc(OC(F)(F)F)cc2c1OC(C(F)(F)F)C=C2

nearest known ligand 0.44

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ PTGS2 P35354 14/20 0.44
▸ PTGS1 P23219 12/20 0.44
▸ HRH4 Q9H3N8 1/20 0.34

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
SCHEMBL16893588 0.86 PTGS2 (0.57) PTGS2PTGS1
SCHEMBL27628645 0.83 PTGS2 (0.52) PTGS2PTGS1
SCHEMBL16893609 0.79 PTGS2 (0.53) PTGS2PTGS1
SCHEMBL5645410 0.74 PTGS2 (0.80) PTGS2PTGS1
SCHEMBL27628781 0.73 PTGS2 (0.34) PTGS2PTGS1
SCHEMBL5646382 0.71 PTGS2 (0.66) PTGS2PTGS1
SCHEMBL30874302 0.68 PTGS1 (0.51) PTGS2PTGS1
SCHEMBL5559818 0.68 PTGS1 (0.51) PTGS2PTGS1
SCHEMBL30874303 0.68 PTGS1 (0.51) PTGS2PTGS1
SCHEMBL5982852 0.66 PTGS2 (0.78) 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 1 patent. 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 disclosed
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