SCHEMBL5990639

SCHEMBL5990639

C[C@H](O)CCOc1ccc(OC(F)(F)F)cc1Br

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 4/20 0.38
PPARD Q03181 3/20 0.38
FFAR1 O14842 2/20 0.38
FFAR4 Q5NUL3 2/20 0.38
PPARG P37231 1/20 0.38
MCHR1 Q99705 2/20 0.36
ALDH1A1 P00352 2/20 0.36
POLB P06746 1/20 0.36
GAA P10253 1/20 0.36
THRB P10828 1/20 0.36
ALK Q9UM73 1/20 0.36
SMN1; SMN2 Q16637 2/20 0.35
NPC1 O15118 1/20 0.35
MAPT P10636 1/20 0.35
HPGD P15428 1/20 0.35
RAB9A P51151 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
MEN1 O00255 1/20 0.35
CYP1A2 P05177 1/20 0.35

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
SCHEMBL5990644 1.00 PPARA (0.38) PPARAPPARDFFAR1FFAR4PPARG
SCHEMBL8156359 0.81 MCHR1 (0.47) PPARAPPARDFFAR1FFAR4MCHR1
SCHEMBL5992014 0.80 SLC6A4 (0.40) PPARAPPARDFFAR1FFAR4PPARG
SCHEMBL5992016 0.80 SLC6A4 (0.40) PPARAPPARDFFAR1FFAR4PPARG
SCHEMBL8163202 0.80 FFAR1 (0.39) PPARAPPARDFFAR1FFAR4MCHR1
SCHEMBL8148399 0.78 S1PR1 (0.46) ALDH1A1POLBGAATHRBSMN1; SMN2
SCHEMBL19616709 0.76 MAPT (0.43) MCHR1ALDH1A1POLBGAATHRB
SCHEMBL29493403 0.76 MAPT (0.43) MCHR1ALDH1A1POLBGAATHRB
SCHEMBL8160442 0.75 GRM7 (0.40) ALDH1A1POLBGAATHRB
SCHEMBL7651507 0.75 KDM4E (0.46) ALDH1A1POLBGAATHRBSMN1; SMN2

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