SCHEMBL8477487

SCHEMBL8477487

Cc1onc(-c2ccc(CO)cc2)c1-c1ccccc1S(N)(=O)=O

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 11/20 0.54
PTGS1 P23219 4/20 0.54
MT-CO2 P00403 3/20 0.54
CA12 O43570 1/20 0.54
CA1 P00915 1/20 0.54
CA2 P00918 1/20 0.54
LMNA P02545 1/20 0.54
CA3 P07451 1/20 0.54
ADRB2 P07550 1/20 0.54
ADRB1 P08588 1/20 0.54
CYP3A4 P08684 1/20 0.54
ADORA3 P0DMS8 1/20 0.54
CHRM1 P11229 1/20 0.54
ADRA2B P18089 1/20 0.54
CA4 P22748 1/20 0.54
CA6 P23280 1/20 0.54
SLC6A2 P23975 1/20 0.54
PDE4A P27815 1/20 0.54
ADORA1 P30542 1/20 0.54
CA5A P35218 1/20 0.54

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
SCHEMBL8477525 0.86 PTGS2 (0.60) PTGS2PTGS1MT-CO2CA12CA1
SCHEMBL6435526 0.86 PTGS2 (0.67) PTGS2PTGS1MT-CO2CA12CA1
SCHEMBL8477992 0.84 PTGS2 (0.57) PTGS2PTGS1MT-CO2CA12CA1
SCHEMBL8474687 0.84 PTGS2 (0.57) PTGS2PTGS1MT-CO2CA12CA1
SCHEMBL8473861 0.84 PTGS2 (0.67) PTGS2PTGS1MT-CO2CA12CA1
SCHEMBL8473191 0.83 PTGS2 (0.55) PTGS2PTGS1MT-CO2CA12CA1
SCHEMBL8477909 0.82 PTGS2 (0.60) PTGS2PTGS1MT-CO2CA12CA1
SCHEMBL6170490 0.81 PTGS2 (0.72) PTGS2PTGS1MT-CO2CA12CA1
SCHEMBL8477983 0.81 PTGS2 (0.54) PTGS2PTGS1MT-CO2CA12CA1
SCHEMBL8474643 0.81 PTGS2 (0.54) 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