SCHEMBL5330973

SCHEMBL5330973

O=C(O)NCCNCc1ccc(OC(F)(F)F)cc1

nearest known ligand 0.60

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SCN8A Q9UQD0 1/20 0.52
EPHX2 P34913 6/20 0.51
NR1H4 Q96RI1 1/20 0.51
LTA4H P09960 1/20 0.48
PPARA Q07869 6/20 0.47
PPARG P37231 2/20 0.47
HTR2C P28335 3/20 0.47
PLA2G1B P04054 1/20 0.46
MAPT P10636 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
ATG4B Q9Y4P1 1/20 0.46
NAMPT P43490 1/20 0.44
CA12 O43570 1/20 0.44
CA1 P00915 1/20 0.44
CA2 P00918 1/20 0.44
CA7 P43166 1/20 0.44
TRPV1 Q8NER1 1/20 0.44
PPARD Q03181 2/20 0.44

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
SCHEMBL6635990 0.86 EPHX2 (0.61) EPHX2NR1H4LTA4HPPARAPPARG
SCHEMBL4913978 0.82 EPHX2 (0.52) SCN8AEPHX2NR1H4PPARAPPARG
SCHEMBL19280078 0.80 MEN1 (0.62) SMN1; SMN2
SCHEMBL16269079 0.80 MTOR (0.51) SCN8AEPHX2PPARAPPARGNAMPT
SCHEMBL3350274 0.80 EPHX2 (0.46) SCN8AEPHX2NR1H4LTA4HPPARA
SCHEMBL8348550 0.79 SCN8A (0.55) SCN8AEPHX2NR1H4HTR2CPLA2G1B
SCHEMBL16839848 0.78 POLB (0.56) SCN8AEPHX2NR1H4LTA4HPPARA
SCHEMBL23607918 0.78 KDM4E (0.59) PLA2G1BATG4BCA12CA1CA2
Hydrochloric Acid SCHEMBL6122751 0.77 SCN8A (0.54) SCN8AEPHX2NR1H4HTR2CPLA2G1B
SCHEMBL4656040 0.77 SCN8A (0.59) SCN8AEPHX2NR1H4HTR2CPLA2G1B

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
WO-2007047432-A1 SULFONAMIDE DERIVATIVES AS MODULATORS OF PPAR KALYPSYS, INC. (US) 2007-04-26 WO disclosed