SCHEMBL29527353

SCHEMBL29527353

CNS(=O)(=O)c1ccc2c(c1)C=C(C(=O)O)C(C(F)(F)F)O2

nearest known ligand 0.64

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 20/20 0.64
PTGS1 P23219 11/20 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
SCHEMBL212715 1.00 PTGS2 (0.64) PTGS2PTGS1
SCHEMBL6093428 1.00 PTGS2 (0.64) PTGS2PTGS1
SCHEMBL29527245 0.88 PTGS2 (0.61) PTGS2PTGS1
SCHEMBL6093110 0.88 PTGS2 (0.61) PTGS2PTGS1
SCHEMBL214422 0.88 PTGS2 (0.61) PTGS2PTGS1
SCHEMBL213277 0.86 PTGS2 (0.68) PTGS2PTGS1
SCHEMBL6092672 0.86 PTGS2 (0.68) PTGS2PTGS1
SCHEMBL214284 0.85 PTGS2 (0.57) PTGS2PTGS1
SCHEMBL29527405 0.85 PTGS2 (0.57) PTGS2PTGS1
SCHEMBL6095071 0.85 PTGS2 (0.57) 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-110292575-B Pharmaceutical composition 株式会社AskAt 2022-05-13 CN disclosed