SCHEMBL5992016

SCHEMBL5992016

CC(CCOc1ccc(OC(F)(F)F)cc1Br)OS(C)(=O)=O

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 2/20 0.40
SLC6A3 Q01959 2/20 0.40
PPARA Q07869 3/20 0.38
PPARG P37231 2/20 0.38
PPARD Q03181 1/20 0.38
MCHR1 Q99705 4/20 0.38
SLC6A2 P23975 1/20 0.35
KIF11 P52732 1/20 0.35
CHRM5 P08912 1/20 0.34
FFAR1 O14842 2/20 0.34
FFAR4 Q5NUL3 2/20 0.34
TACR1 P25103 1/20 0.33
ALOX5 P09917 1/20 0.33
ALK Q9UM73 1/20 0.33
ALPL P05186 1/20 0.33

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
SCHEMBL5992014 1.00 SLC6A4 (0.40) SLC6A4SLC6A3PPARAPPARGPPARD
SCHEMBL5990639 0.80 PPARA (0.38) PPARAPPARGPPARDMCHR1FFAR1
SCHEMBL5990644 0.80 PPARA (0.38) PPARAPPARGPPARDMCHR1FFAR1
SCHEMBL8163202 0.74 FFAR1 (0.39) PPARAPPARDMCHR1FFAR1FFAR4
SCHEMBL8156359 0.73 MCHR1 (0.47) PPARAPPARDMCHR1FFAR1FFAR4
SCHEMBL8148399 0.72 S1PR1 (0.46) TACR1
SCHEMBL19616709 0.70 MAPT (0.43) SLC6A4SLC6A3MCHR1CHRM5
SCHEMBL9721831 0.70 TDP1 (0.41)
SCHEMBL29493403 0.70 MAPT (0.43) SLC6A4SLC6A3MCHR1CHRM5
SCHEMBL5992130 0.70 PPARG (0.53) SLC6A4SLC6A3PPARAPPARGPPARD

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-20060257987-A1 Ppar modulators ELI LILLY AND COMPANY 2006-11-16 US disclosed