SCHEMBL8044560

SCHEMBL8044560

COc1ccc(-c2cccc(S(C)(=O)=O)c2)cc1Cl

nearest known ligand 0.66

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 14/20 0.66
PTGS1 P23219 5/20 0.55
NR1H2 P55055 2/20 0.51
SMN1; SMN2 Q16637 1/20 0.49
NR1H3 Q13133 1/20 0.47
RIPK2 O43353 1/20 0.44
NOD2 Q9HC29 1/20 0.44
LMNA P02545 1/20 0.44
ACLY P53396 1/20 0.44

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
SCHEMBL8044562 0.86 PTGS2 (0.76) PTGS2PTGS1SMN1; SMN2
SCHEMBL8055955 0.82 PTGS2 (0.63) PTGS2PTGS1NR1H2SMN1; SMN2
SCHEMBL6724132 0.79 PTGS2 (1.00) PTGS2PTGS1
SCHEMBL8055954 0.78 PTGS2 (0.64) PTGS2PTGS1NR1H2NR1H3
SCHEMBL12326172 0.78 PTGS2 (0.53) PTGS2PTGS1
SCHEMBL6243674 0.78 KCNH2 (0.50) PTGS2NR1H2NR1H3
SCHEMBL14019058 0.78 ABL1 (0.56) PTGS2PTGS1NR1H2
SCHEMBL7500687 0.77 PTGS2 (0.67) PTGS2PTGS1SMN1; SMN2
SCHEMBL403698 0.77 ADORA2A (0.55) PTGS2PTGS1SMN1; SMN2LMNAACLY
SCHEMBL29375895 0.77 ADORA2A (0.55) PTGS2PTGS1SMN1; SMN2LMNAACLY

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-0794942-B1 SUBSTITUTED BIPHENYL COMPOUNDS FOR THE TREATMENT OF INFLAMMATION SEARLE & CO (US) 2000-05-31 EP claimed