SCHEMBL29080599

SCHEMBL29080599

CC(=O)Nc1ccc(O)cc1O.Cc1cc(=O)c(Oc2ccc(F)cc2F)c(-c2ccc(S(C)(=O)=O)cc2)o1

nearest known ligand 0.74

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 20/20 0.74
PTGS1 P23219 11/20 0.74

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
SCHEMBL1376884 0.86 PTGS2 (1.00) PTGS2PTGS1
SCHEMBL5097677 0.78 PTGS2 (1.00) PTGS2PTGS1
SCHEMBL1377388 0.78 PTGS2 (0.84) PTGS2PTGS1
SCHEMBL5100492 0.78 PTGS2 (1.00) PTGS2PTGS1
SCHEMBL5097585 0.77 PTGS2 (0.82) PTGS2PTGS1
SCHEMBL5708966 0.77 PTGS2 (0.82) PTGS2PTGS1
SCHEMBL5097605 0.77 PTGS2 (0.74) PTGS2PTGS1
SCHEMBL2127942 0.77 PTGS2 (1.00) PTGS2PTGS1
SCHEMBL2127038 0.77 PTGS2 (1.00) PTGS2PTGS1
SCHEMBL6580476 0.76 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-114159421-B Pharmaceutical composition comprising dimethyl fumarate 阿尔米雷尔有限公司 2023-08-25 CN disclosed