SCHEMBL20529940

SCHEMBL20529940

O=[SH](=O)Cc1ccc(C2=C(c3ccc(F)c(Cl)c3)CC3(CC3)C2)cc1

nearest known ligand 0.60

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 20/20 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
SCHEMBL20529938 0.82 PTGS2 (0.54) PTGS2PTGS1
SCHEMBL8388332 0.76 PTGS2 (0.73) PTGS2PTGS1
SCHEMBL8384298 0.75 PTGS2 (1.00) PTGS2PTGS1
SCHEMBL212430 0.75 PTGS2 (1.00) PTGS2PTGS1
SCHEMBL27469694 0.75 PTGS1 (0.47) PTGS2PTGS1
SCHEMBL8383829 0.74 PTGS2 (0.75) PTGS2PTGS1
SCHEMBL29177660 0.74 PIK3CA (0.44)
SCHEMBL8384808 0.73 PTGS2 (0.73) PTGS2PTGS1
SCHEMBL27587375 0.71 PTGS2 (0.55) PTGS2PTGS1
SCHEMBL27605223 0.68 PTGS2 (0.55) 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
WO-2018187698-A2 COMBINATION THERAPIES USING CASPASE-1 DEPENDENT ANTICANCER AGENTS AND PGE2 ANTAGONISTS TRUSTEES OF TUFTS COLLEGE (US) 2018-10-11 WO disclosed