SCHEMBL7848688

SCHEMBL7848688

O=C(O)C1=Cc2cc(-c3ccccc3F)ccc2OC1C(F)(F)F

nearest known ligand 0.60

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 19/20 0.60
PTGS1 P23219 13/20 0.60

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
SCHEMBL6094984 0.86 PTGS2 (0.67) PTGS2PTGS1
SCHEMBL6094976 0.86 PTGS2 (0.67) PTGS2PTGS1
SCHEMBL6093866 0.83 PTGS2 (0.66) PTGS2PTGS1
SCHEMBL6095135 0.83 PTGS2 (0.66) PTGS2PTGS1
SCHEMBL5646520 0.82 PTGS2 (0.62) PTGS2PTGS1
SCHEMBL5644922 0.80 PTGS2 (0.54) PTGS2PTGS1
SCHEMBL5645534 0.79 PTGS2 (0.81) PTGS2PTGS1
SCHEMBL6095511 0.79 PTGS2 (0.64) PTGS2PTGS1
SCHEMBL5644615 0.79 PTGS2 (0.81) PTGS2PTGS1
SCHEMBL6092371 0.79 PTGS2 (0.64) 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
EP-1123285-A1 SUBSTITUTED BENZOPYRAN ANALOGS FOR THE TREATMENT OF INFLAMMATION G.D. SEARLE & CO. (US) 2001-08-16 EP disclosed
WO-2000023433-A1 SUBSTITUTED BENZOPYRAN ANALOGS FOR THE TREATMENT OF INFLAMMATION G.D. SEARLE & CO. (US) 2000-04-27 WO disclosed