SCHEMBL587020

SCHEMBL587020

CCOC(=O)CC(=O)[C@H]1CCN(C(=O)OC)[C@H](C(F)c2cc(F)cc(F)c2)C1

nearest known ligand 0.37

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CHRM1 P11229 3/20 0.37
ALDH1A1 P00352 5/20 0.33
HCRTR2 O43614 2/20 0.33
TDP1 Q9NUW8 1/20 0.33
HSD17B10 Q99714 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
MAPT P10636 1/20 0.31
MEN1 O00255 3/20 0.31
KMT2A Q03164 3/20 0.31
MAPK1 P28482 1/20 0.31
HTT P42858 1/20 0.31
KDM4E B2RXH2 3/20 0.31
ATM Q13315 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
SCHEMBL586902 0.87 CHRM1 (0.38) CHRM1ALDH1A1TDP1HSD17B10L3MBTL1
SCHEMBL3074935 0.83 GAA (0.36) CHRM1ALDH1A1L3MBTL1MAPTHTT
SCHEMBL581244 0.83 GAA (0.36) CHRM1ALDH1A1L3MBTL1MAPTHTT
SCHEMBL580903 0.83 GAA (0.36) CHRM1ALDH1A1L3MBTL1MAPTHTT
SCHEMBL3085316 0.82 CHRM1 (0.38) CHRM1ALDH1A1HCRTR2TDP1SMN1; SMN2
SCHEMBL3069035 0.82 CHRM1 (0.38) CHRM1ALDH1A1HCRTR2TDP1SMN1; SMN2
SCHEMBL581176 0.82 CHRM1 (0.38) CHRM1ALDH1A1HCRTR2TDP1SMN1; SMN2
SCHEMBL582086 0.76 PPARG (0.40) CHRM1ALDH1A1TDP1MAPTMEN1
SCHEMBL3075222 0.76 PPARG (0.40) CHRM1ALDH1A1TDP1MAPTMEN1
SCHEMBL3075705 0.76 PPARG (0.40) CHRM1ALDH1A1TDP1MAPTMEN1

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