SCHEMBL14501902

SCHEMBL14501902

CO[C@@H](Cc1ccc(OC(C)(C)C(=O)NCCc2cccc(C(F)(F)F)c2)cc1)C(=O)O

nearest known ligand 0.50

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 7/20 0.50
PPARG P37231 4/20 0.50
KDM4E B2RXH2 2/20 0.46
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
TDP1 Q9NUW8 1/20 0.45
CNR1 P21554 2/20 0.43
FFAR1 O14842 1/20 0.43
FFAR4 Q5NUL3 1/20 0.43
ROCK2 O75116 1/20 0.41
ROCK1 Q13464 1/20 0.41
USP2 O75604 1/20 0.41
CYP3A4 P08684 1/20 0.41
LMNA P02545 1/20 0.41
PPARD Q03181 2/20 0.40

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
SCHEMBL5364860 1.00 PPARA (0.50) PPARAPPARGKDM4EMEN1KMT2A
SCHEMBL5357732 0.91 PPARA (0.48) PPARAPPARGKDM4EMEN1KMT2A
SCHEMBL5358190 0.91 PPARA (0.52) PPARAPPARGKDM4EMEN1KMT2A
SCHEMBL6658219 0.83 PPARA (0.54) PPARAPPARGKDM4EMEN1KMT2A
SCHEMBL5361848 0.82 PPARG (0.57) PPARAPPARGKDM4EKMT2APPARD
SCHEMBL6658216 0.82 PPARA (0.51) PPARAPPARGKDM4EMEN1KMT2A
SCHEMBL5364805 0.81 PPARG (0.51) PPARAPPARGKDM4EKMT2APPARD
SCHEMBL5360529 0.81 KMT2A (0.50) PPARAPPARGKDM4EMEN1KMT2A
SCHEMBL5364230 0.80 PPARA (0.43) PPARAPPARGKDM4EKMT2ACNR1
SCHEMBL11571249 0.79 KDM4E (0.53) PPARAPPARGKDM4EPPARD

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-7220880-B2 Amide linker peroxisome proliferator activated receptor modulators ELI LILLY AND COMPANY (US) 2007-05-22 US disclosed