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SCHEMBL8799520

SCHEMBL8799520

NS(=O)(=O)c1ccc(C2=C(c3ccccc3)C(=O)OC23CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC3)cc1

nearest known ligand 0.52

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ PTGS2 P35354 10/20 0.52
▸ CA2 P00918 8/20 0.47
▸ CA1 P00915 6/20 0.47
▸ CA9 Q16790 6/20 0.47
▸ CA12 O43570 5/20 0.47
▸ PTGS1 P23219 4/20 0.47
▸ ALDH1A1 P00352 1/20 0.43
▸ PKM P14618 1/20 0.43
▸ HPGD P15428 1/20 0.43
▸ MAPK1 P28482 1/20 0.43
▸ L3MBTL1 Q9Y468 1/20 0.43
▸ MAOA P21397 1/20 0.43
▸ MAOB P27338 1/20 0.43
▸ CA7 P43166 1/20 0.41

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
SCHEMBL8799123 1.00 PTGS2 (0.52) PTGS2CA2CA1CA9CA12
SCHEMBL6988455 1.00 PTGS2 (0.52) PTGS2CA2CA1CA9CA12
SCHEMBL6986739 0.99 PTGS2 (0.54) PTGS2CA2CA1CA9CA12
SCHEMBL6989032 0.96 PTGS2 (0.54) PTGS2CA2CA1CA9CA12
SCHEMBL6995595 0.90 PTGS2 (0.53) PTGS2PTGS1ALDH1A1PKMHPGD
SCHEMBL6990955 0.89 PTGS2 (0.54) PTGS2PTGS1MAOAMAOB
SCHEMBL6990691 0.86 PTGS2 (0.54) PTGS2PTGS1MAOAMAOB
SCHEMBL6991312 0.86 PTGS2 (0.64) PTGS2PTGS1ALDH1A1
SCHEMBL6990787 0.84 PTGS2 (0.56) PTGS2CA2CA1CA9CA12
SCHEMBL6993378 0.83 PTGS2 (0.64) PTGS2PTGS1ALDH1A1

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
EP-0799218-A1 DIARYL-2-(5H)-FURANONES AS COX-2 INHIBITORS MERCK FROSST CANADA INC. (CA) 1997-10-08 — — EP disclosed