SCHEMBL587242

SCHEMBL587242

CCCC(C)(C)C1CC(C(=O)CC(=O)OCC)CCN1C(=O)OC

nearest known ligand 0.34

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
GAA P10253 3/20 0.34
ALDH1A1 P00352 4/20 0.32
MEN1 O00255 1/20 0.32
TSHR P16473 1/20 0.32
KMT2A Q03164 1/20 0.32
MGAM O43451 1/20 0.31
SI P14410 1/20 0.31
MGAM2 Q2M2H8 1/20 0.31
MAPT P10636 2/20 0.30
CHRM1 P11229 1/20 0.30
HTT P42858 1/20 0.30
L3MBTL1 Q9Y468 1/20 0.30

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
SCHEMBL3069770 0.80 GAA (0.34) GAAALDH1A1MEN1TSHRKMT2A
SCHEMBL581442 0.80 GAA (0.34) GAAALDH1A1MEN1TSHRKMT2A
SCHEMBL587241 0.80 GAA (0.34) GAAALDH1A1MEN1TSHRKMT2A
SCHEMBL581347 0.79 GAA (0.39) GAAALDH1A1TSHRMGAMSI
SCHEMBL3077003 0.79 GAA (0.39) GAAALDH1A1TSHRMGAMSI
SCHEMBL3082880 0.79 GAA (0.39) GAAALDH1A1TSHRMGAMSI
SCHEMBL3088433 0.79 GAA (0.35) GAAALDH1A1MEN1TSHRKMT2A
SCHEMBL3079270 0.79 GAA (0.35) GAAALDH1A1MEN1TSHRKMT2A
SCHEMBL580755 0.79 GAA (0.35) GAAALDH1A1MEN1TSHRKMT2A
SCHEMBL14698755 0.77 GAA (0.35) GAAALDH1A1MEN1TSHRKMT2A

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2417131-A1 ISOXAZOL-3(2H)-ONE ANALOGS AS THERAPEUTIC AGENTS AstraZeneca AB (SE) 2012-02-15 EP disclosed
WO-2010117323-A1 METHOD AND APPARATUS FOR PRODUCING HEAT ENERGY AND CARBON DIOXIDE ASTRAZENECA AB (SE) 2010-10-14 WO disclosed