SCHEMBL365346

SCHEMBL365346

CC(C)C(=O)O[C@@H](C)ON(C=O)c1ccc([C@H](C)CC(=O)O)cc1

nearest known ligand 0.40

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 6/20 0.40
ALDH1A1 P00352 3/20 0.35
GAA P10253 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
FFAR4 Q5NUL3 1/20 0.35
TSHR P16473 1/20 0.32
STAT3 P40763 1/20 0.32
LTB4R Q15722 1/20 0.32
LTB4R2 Q9NPC1 1/20 0.32
ACHE P22303 1/20 0.31

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
SCHEMBL348939 0.71 FFAR1 (0.43) FFAR1ALDH1A1L3MBTL1TSHR
SCHEMBL351084 0.71 FFAR1 (0.43) FFAR1ALDH1A1L3MBTL1TSHR
SCHEMBL9424247 0.69 ALDH1A1 (0.67) FFAR1ALDH1A1GAAL3MBTL1ACHE
SCHEMBL9718462 0.67 FFAR1 (0.61) FFAR1ALDH1A1GAAL3MBTL1FFAR4
SCHEMBL6515606 0.66 FFAR1 (0.56) FFAR1ALDH1A1FFAR4TSHRSTAT3
SCHEMBL11332403 0.65 FFAR1 (0.62) FFAR1ALDH1A1FFAR4TSHRSTAT3
SCHEMBL351929 0.65 CASP3 (0.42) FFAR1L3MBTL1TSHR
SCHEMBL349358 0.65 CASP3 (0.42) FFAR1L3MBTL1TSHR
SCHEMBL8476326 0.64 FFAR1 (0.53) FFAR1ALDH1A1GAAL3MBTL1FFAR4
SCHEMBL25152959 0.64 ACHE (0.67) FFAR1ALDH1A1TSHRSTAT3ACHE

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-2012009646-A1 METHODS OF TREATING FRAGILE X SYNDROME, DOWN'S SYNDROME, AUTISM AND RELATED DISORDERS XENOPORT, INC. (US) 2012-01-19 WO claimed