SCHEMBL27453686

SCHEMBL27453686

CS(=O)(=O)c1ccc(-c2cc(Cl)cc3c2OC(C(F)(F)F)C=C3)cc1

nearest known ligand 0.61

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ PTGS2 P35354 19/20 0.61
▸ PTGS1 P23219 14/20 0.61

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
SCHEMBL27453687 0.81 PTGS2 (0.41) PTGS2PTGS1
SCHEMBL5981834 0.80 PTGS2 (0.43) PTGS2PTGS1
SCHEMBL6093400 0.76 PTGS2 (1.00) PTGS2PTGS1
SCHEMBL6094114 0.76 PTGS2 (1.00) PTGS2PTGS1
SCHEMBL7148293 0.74 PTGS2 (0.74) PTGS2PTGS1
SCHEMBL5566588 0.72 PTGS2 (0.50) PTGS2PTGS1
SCHEMBL6092665 0.72 PTGS2 (0.76) PTGS2PTGS1
SCHEMBL6363548 0.71 PNMT (0.37) PTGS2PTGS1
SCHEMBL6407906 0.68 PTGS2 (0.56) PTGS2PTGS1
SCHEMBL6407993 0.68 PTGS2 (0.56) 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-1150181-C Substituted benzopyran analogs for treatment of inflammation GD 2004-05-19 — — CN disclosed
Send feedback