SCHEMBL8473752

SCHEMBL8473752

NS(=O)(=O)c1ccccc1-c1c(-c2ccccc2)noc1COCCO

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 8/20 0.50
F10 P00742 5/20 0.41
F2 P00734 4/20 0.41
CA12 O43570 4/20 0.40
CA1 P00915 4/20 0.40
CA2 P00918 4/20 0.40
CA9 Q16790 4/20 0.40
PTGS1 P23219 3/20 0.40
MT-CO2 P00403 1/20 0.40
LMNA P02545 1/20 0.40
CA3 P07451 1/20 0.40
ADRB2 P07550 1/20 0.40
ADRB1 P08588 1/20 0.40
CYP3A4 P08684 1/20 0.40
ADORA3 P0DMS8 1/20 0.40
CHRM1 P11229 1/20 0.40
ADRA2B P18089 1/20 0.40
CA4 P22748 1/20 0.40
CA6 P23280 1/20 0.40
SLC6A2 P23975 1/20 0.40

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
SCHEMBL8476340 0.85 PTGS2 (0.55) PTGS2F10F2CA12CA1
SCHEMBL8474059 0.85 PTGS2 (0.46) PTGS2F10F2CA12CA1
SCHEMBL8348672 0.85 PTGS2 (0.67) PTGS2F10F2CA12CA1
SCHEMBL8478929 0.84 F2 (0.49) PTGS2F10F2CA12CA1
SCHEMBL8477420 0.83 PTGS2 (0.56) PTGS2F10F2CA12CA1
SCHEMBL8473427 0.80 PTGS2 (0.51) PTGS2F10F2CA12CA1
SCHEMBL8475898 0.80 PTGS2 (0.61) PTGS2F10F2CA12CA1
SCHEMBL8474368 0.79 PTGS2 (0.46) PTGS2CA12CA1CA2CA9
SCHEMBL8479943 0.78 PTGS2 (0.49) PTGS2F10F2CA12CA1
SCHEMBL8474220 0.78 PTGS2 (0.53) PTGS2F10F2CA12CA1

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