SCHEMBL8630945

SCHEMBL8630945

COc1ccc(-c2c(NS(=O)(=O)c3ccccc3)nn(CCCO)c2C(F)(F)F)cc1F

nearest known ligand 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 1/20 0.39
EDNRA P25101 3/20 0.38
EDNRB P24530 2/20 0.38
PTGS2 P35354 4/20 0.38
PTGS1 P23219 2/20 0.38
PI4KB Q9UBF8 2/20 0.36
TRPV1 Q8NER1 1/20 0.36
ACLY P53396 1/20 0.36
HTR6 P50406 1/20 0.36
ERAP1 Q9NZ08 1/20 0.36
PDE2A O00408 1/20 0.36
PDE4B Q07343 1/20 0.36
NR3C1 P04150 1/20 0.36
PGR P06401 1/20 0.36
NPC1 O15118 1/20 0.36
HTT P42858 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
SCHEMBL8634282 0.92 EDNRA (0.38) PPARAEDNRAEDNRBPTGS2PTGS1
SCHEMBL8631961 0.89 PTGS2 (0.38) EDNRAEDNRBPTGS2
SCHEMBL8631745 0.89 PTGS2 (0.41) PPARAPTGS2PTGS1PI4KBHTR6
SCHEMBL8635104 0.88 PPARA (0.39) PPARAPTGS2PTGS1PI4KBACLY
SCHEMBL8630562 0.87 CCR4 (0.42) PPARAPTGS2PTGS1PI4KBPDE4B
SCHEMBL8631658 0.87 EDNRB (0.42) EDNRAEDNRBPTGS2
SCHEMBL8629545 0.86 NPC1 (0.41) PPARAPTGS2PTGS1ACLYHTR6
SCHEMBL8629013 0.85 PPARA (0.39) PPARAPTGS2PTGS1PI4KBACLY
SCHEMBL8631722 0.85 PPARA (0.41) PPARAPTGS2PTGS1PI4KBACLY
SCHEMBL8631761 0.85 PTGS2 (0.44) PPARAEDNRAPTGS2PTGS1PI4KB

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-5756530-A NON-STEROIDAL ANTIINFLAMMATORY AGENTS WITH REDUCED SIDE EFFECTS G. D. SEARLE & CO. (US) 1998-05-26 US disclosed