SCHEMBL18352146

SCHEMBL18352146

CCOC(=O)/C=C/C(=O)OCC(=O)C(=O)N1CCCCC1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HCAR2 Q8TDS4 1/20 0.44
MAPT P10636 6/20 0.43
ALDH1A1 P00352 6/20 0.43
LMNA P02545 2/20 0.43
L3MBTL1 Q9Y468 5/20 0.39
APOBEC3A P31941 1/20 0.39
CTDSP1 Q9GZU7 1/20 0.39
APOBEC3G Q9HC16 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
PKM P14618 1/20 0.36
KMT2A Q03164 1/20 0.36
ATM Q13315 1/20 0.36
KDM4E B2RXH2 1/20 0.36
NPC1 O15118 2/20 0.36
RAB9A P51151 2/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
MDM4 O15151 1/20 0.36
MDM2 Q00987 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36

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 0.92 L3MBTL1 (0.43) MAPTALDH1A1LMNAL3MBTL1APOBEC3A
SCHEMBL18566979 0.90 L3MBTL1 (0.41) HCAR2MAPTALDH1A1LMNAL3MBTL1
SCHEMBL18352055 0.88 HCAR2 (0.41) HCAR2MAPTALDH1A1LMNAL3MBTL1
SCHEMBL18352085 0.86 HCAR2 (0.42) HCAR2ALDH1A1LMNAL3MBTL1APOBEC3A
SCHEMBL18352082 0.86 HCAR2 (0.42) HCAR2MAPTALDH1A1LMNAL3MBTL1
SCHEMBL18352147 0.84 HCAR2 (0.41) HCAR2MAPTALDH1A1LMNAL3MBTL1
SCHEMBL18566998 0.83 L3MBTL1 (0.41) ALDH1A1LMNAL3MBTL1APOBEC3ACTDSP1
SCHEMBL25804277 0.80 HCAR2 (0.50) HCAR2MAPTALDH1A1LMNAL3MBTL1
SCHEMBL18566996 0.79 CYP1A2 (0.39) HCAR2MAPTALDH1A1LMNAL3MBTL1
SCHEMBL18566997 0.79 TDP1 (0.39) MAPTALDH1A1L3MBTL1TDP1KMT2A

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