SCHEMBL27628645

SCHEMBL27628645

CCCCc1cc(OC(F)(F)F)cc2c1OC(C(F)(F)F)C=C2

nearest known ligand 0.52

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ PTGS2 P35354 13/20 0.52
▸ PTGS1 P23219 10/20 0.52

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 0.89 PTGS2 (0.57) PTGS2PTGS1
SCHEMBL27628602 0.83 PTGS2 (0.44) PTGS2PTGS1
SCHEMBL16893609 0.79 PTGS2 (0.53) PTGS2PTGS1
SCHEMBL5646378 0.74 PTGS2 (0.88) PTGS2PTGS1
SCHEMBL5643216 0.72 PTGS2 (0.70) PTGS2PTGS1
SCHEMBL27628641 0.71 PTGS2 (0.38) PTGS2PTGS1
SCHEMBL5644913 0.71 PTGS2 (0.86) PTGS2PTGS1
SCHEMBL5644294 0.68 PTGS2 (1.00) PTGS2PTGS1
SCHEMBL5646984 0.68 PTGS2 (1.00) PTGS2PTGS1
SCHEMBL22299305 0.65 HDAC3 (0.43) 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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