SCHEMBL8559048

SCHEMBL8559048

CS(=O)(=O)c1ccc(-c2cc(CC(C(=O)O)c3ncco3)ccc2-c2ccc(F)cc2)cc1

nearest known ligand 0.43

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 12/20 0.43
CTSA P10619 4/20 0.40
PTGDR2 Q9Y5Y4 1/20 0.39
PTGS1 P23219 1/20 0.38
CYP2C9 P11712 1/20 0.38
PDE4A P27815 1/20 0.38
PDE4B Q07343 1/20 0.38
PDE4C Q08493 1/20 0.38
PDE4D Q08499 1/20 0.38
MAPK13 O15264 1/20 0.38
MAPK12 P53778 1/20 0.38
MAPK11 Q15759 1/20 0.38
MAPK14 Q16539 1/20 0.38

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
SCHEMBL8559917 0.81 CTSA (0.42) PTGS2CTSAPTGDR2
SCHEMBL5732590 0.78 PTGS2 (0.44) PTGS2CTSAPTGDR2PTGS1
SCHEMBL5732775 0.75 PTGS2 (0.42) PTGS2CTSAPTGDR2PTGS1
SCHEMBL7504581 0.74 PTGS2 (0.56) PTGS2MAPK13MAPK12MAPK11MAPK14
SCHEMBL6002182 0.74 PTGS2 (0.41) PTGS2CTSAPTGS1
SCHEMBL6002011 0.72 PTGS2 (0.40) PTGS2CTSAPTGS1
SCHEMBL8558001 0.72 CTSA (0.41) PTGS2CTSAPTGS1
SCHEMBL7509341 0.70 PTGS2 (0.48) PTGS2PTGS1MAPK13MAPK12MAPK11
SCHEMBL9896010 0.70 EPHX2 (0.51) PTGS2PTGS1CYP2C9
SCHEMBL7509340 0.69 PTGS2 (0.49) PTGS2PTGS1MAPK13MAPK12MAPK11

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
US-5719163-A ARTHRITIS G.D. SEARLE & CO. (US) 1998-02-17 US disclosed