SCHEMBL18352147

SCHEMBL18352147

CC(C)OC(=O)/C=C/C(=O)OCC(=O)C(=O)N1CCCCC1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HCAR2 Q8TDS4 1/20 0.41
L3MBTL1 Q9Y468 4/20 0.36
APOBEC3A P31941 1/20 0.36
CTDSP1 Q9GZU7 1/20 0.36
APOBEC3G Q9HC16 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
LMNA P02545 2/20 0.35
ATM Q13315 1/20 0.34
ALDH1A1 P00352 4/20 0.34
MAPT P10636 2/20 0.34
KDM4E B2RXH2 1/20 0.32
MEN1 O00255 2/20 0.32
KMT2A Q03164 2/20 0.32
NPC1 O15118 1/20 0.32
POLB P06746 1/20 0.32
RAB9A P51151 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
CA12 O43570 1/20 0.31
AKR1B10 O60218 1/20 0.31
CA1 P00915 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
SCHEMBL18567010 0.88 L3MBTL1 (0.43) L3MBTL1APOBEC3ACTDSP1APOBEC3GTDP1
SCHEMBL18566979 0.86 L3MBTL1 (0.41) HCAR2L3MBTL1APOBEC3ACTDSP1APOBEC3G
SCHEMBL18352146 0.84 HCAR2 (0.44) HCAR2L3MBTL1APOBEC3ACTDSP1APOBEC3G
SCHEMBL18352055 0.84 HCAR2 (0.41) HCAR2L3MBTL1APOBEC3ACTDSP1APOBEC3G
SCHEMBL18352082 0.82 HCAR2 (0.42) HCAR2L3MBTL1APOBEC3ACTDSP1APOBEC3G
SCHEMBL18352085 0.82 HCAR2 (0.42) HCAR2L3MBTL1APOBEC3ACTDSP1APOBEC3G
SCHEMBL18566998 0.79 L3MBTL1 (0.41) L3MBTL1APOBEC3ACTDSP1APOBEC3GTDP1
SCHEMBL18352026 0.79 HCAR2 (0.37) HCAR2
SCHEMBL4799498 0.77 HCAR2 (0.50) HCAR2L3MBTL1ALDH1A1MAPTKDM4E
SCHEMBL4799507 0.77 HCAR2 (0.50) HCAR2L3MBTL1ALDH1A1MAPTKDM4E

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-9532968-B1 Fumarate compounds, pharmaceutical compositions thereof, and methods of use Nguyen, Mark Quang (US) 2017-01-03 US disclosed