SCHEMBL8637271

SCHEMBL8637271

O=S(=O)(Nn1nc(C(F)(F)F)cc1C1CCCC1)c1ccccc1

nearest known ligand 0.40

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 1/20 0.40
MCOLN2 Q8IZK6 3/20 0.39
MCOLN3 Q8TDD5 3/20 0.39
MCOLN1 Q9GZU1 3/20 0.39
ALDH1A1 P00352 1/20 0.39
CRACR2A Q9BSW2 7/20 0.38
ORAI1 Q96D31 1/20 0.37
FFAR4 Q5NUL3 1/20 0.36
GAA P10253 1/20 0.36
KDM1A O60341 1/20 0.36

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
SCHEMBL8641061 0.99 ALOX15 (0.39) ALOX15MCOLN2MCOLN3MCOLN1ALDH1A1
SCHEMBL8639299 0.99 ALOX15 (0.39) ALOX15MCOLN2MCOLN3MCOLN1ALDH1A1
SCHEMBL8644075 0.85 PTGS2 (0.35) ALOX15MCOLN2MCOLN3MCOLN1CRACR2A
SCHEMBL8641444 0.82 CRACR2A (0.36) CRACR2AFFAR4
SCHEMBL8637619 0.82 ALOX15 (0.34) ALOX15MCOLN2MCOLN3MCOLN1ALDH1A1
SCHEMBL8635861 0.81 ALDH1A1 (0.37) ALOX15MCOLN2MCOLN3MCOLN1ALDH1A1
SCHEMBL8688888 0.77 ALDH1A1 (0.38) MCOLN2MCOLN3MCOLN1ALDH1A1FFAR4
SCHEMBL8640765 0.76 PTGS1 (0.51) ALDH1A1FFAR4
SCHEMBL8641231 0.73 PTGS2 (0.49) ALDH1A1FFAR4
SCHEMBL8637763 0.72 PTGS2 (0.40) ALDH1A1FFAR4

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5756529-A ANTIINFLAMMATORY G.D. SEARLE & CO. (US) 1998-05-26 US disclosed
US-5753688-A ANTIINFLAMMATORY TALLEY JOHN J (US) 1998-05-19 US disclosed
US-5510496-A ANTIINFLAMMATORY AGENTS G.D. SEARLE & CO. (US) 1996-04-23 US disclosed
US-5504215-A Substituted pyrazolyl benzenesulfonamide compounds for the treatment of inflammation G. D. SEARLE & CO. (US) 1996-04-02 US disclosed