SCHEMBL8637619

SCHEMBL8637619

O=S(=O)(Nn1nc(C(F)(F)F)cc1C1C=CCCC1)c1ccccc1

nearest known ligand 0.36

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 1/20 0.34
MCOLN2 Q8IZK6 3/20 0.33
MCOLN3 Q8TDD5 3/20 0.33
MCOLN1 Q9GZU1 3/20 0.33
FFAR4 Q5NUL3 1/20 0.33
ALDH1A1 P00352 1/20 0.32
S1PR1 P21453 1/20 0.32
CRACR2A Q9BSW2 1/20 0.31
HTR1A P08908 1/20 0.31
HTR7 P34969 1/20 0.31
PTGS2 P35354 3/20 0.31
KMT2A Q03164 1/20 0.31
PTGS1 P23219 1/20 0.31
GAA P10253 1/20 0.31
ORAI1 Q96D31 1/20 0.31
SFRP1 Q8N474 1/20 0.31

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
SCHEMBL8637271 0.82 ALOX15 (0.40) ALOX15MCOLN2MCOLN3MCOLN1FFAR4
SCHEMBL8641061 0.81 ALOX15 (0.39) ALOX15MCOLN2MCOLN3MCOLN1FFAR4
SCHEMBL8639299 0.81 ALOX15 (0.39) ALOX15MCOLN2MCOLN3MCOLN1FFAR4
SCHEMBL8644075 0.80 PTGS2 (0.35) ALOX15MCOLN2MCOLN3MCOLN1FFAR4
SCHEMBL8637623 0.75 PTGS2 (0.38) PTGS2PTGS1
SCHEMBL8641444 0.73 CRACR2A (0.36) FFAR4S1PR1CRACR2APTGS2KMT2A
SCHEMBL8688888 0.72 ALDH1A1 (0.38) MCOLN2MCOLN3MCOLN1FFAR4ALDH1A1
SCHEMBL8981267 0.71 PTGS2 (0.53) ALOX15PTGS2PTGS1
SCHEMBL8640765 0.70 PTGS1 (0.51) FFAR4ALDH1A1PTGS2PTGS1
SCHEMBL8641231 0.70 PTGS2 (0.49) FFAR4ALDH1A1PTGS2PTGS1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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