SCHEMBL8478481

SCHEMBL8478481

Cc1onc(-c2ccccc2)c1-c1ccccc1S(=O)(=O)O

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 9/20 0.59
PTGS1 P23219 6/20 0.59
MT-CO2 P00403 3/20 0.56
CA12 O43570 1/20 0.56
CA1 P00915 1/20 0.56
CA2 P00918 1/20 0.56
LMNA P02545 1/20 0.56
CA3 P07451 1/20 0.56
ADRB2 P07550 1/20 0.56
ADRB1 P08588 1/20 0.56
CYP3A4 P08684 1/20 0.56
ADORA3 P0DMS8 1/20 0.56
CHRM1 P11229 1/20 0.56
ADRA2B P18089 1/20 0.56
CA4 P22748 1/20 0.56
CA6 P23280 1/20 0.56
SLC6A2 P23975 1/20 0.56
PDE4A P27815 1/20 0.56
ADORA1 P30542 1/20 0.56
CA5A P35218 1/20 0.56

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
SCHEMBL6435526 0.86 PTGS2 (0.67) PTGS2PTGS1MT-CO2CA12CA1
SCHEMBL29578130 0.86 PTGS2 (0.59) PTGS2PTGS1MT-CO2CA12CA1
Sulfuric Acid SCHEMBL6263325 0.82 PTGS2 (0.77) PTGS2PTGS1MT-CO2CA12CA1
SCHEMBL8474186 0.82 PTGS2 (0.48) PTGS2PTGS1MT-CO2CA12CA1
SCHEMBL6013897 0.80 PTGS2 (0.76) PTGS2PTGS1MT-CO2CA12CA1
SCHEMBL29577826 0.79 PTGS2 (0.72) PTGS2PTGS1MT-CO2CA12CA1
SCHEMBL4537894 0.79 PTGS2 (0.72) PTGS2PTGS1MT-CO2CA12CA1
SCHEMBL4538374 0.78 PTGS2 (0.52) PTGS2PTGS1MT-CO2CA12CA1
SCHEMBL4551420 0.78 PTGS2 (0.50) PTGS2PTGS1MT-CO2CA12CA1
SCHEMBL8477525 0.78 PTGS2 (0.60) PTGS2PTGS1MT-CO2CA12CA1

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-5859257-A ANTIINFLAMMATORY, ANTIARTHRITIC AGENTS G. D. SEARLE & CO. (US) 1999-01-12 US disclosed