SCHEMBL27979705

SCHEMBL27979705

CC(OC(=O)/C=C/C(=O)O)N1CCOCC1

nearest known ligand 0.50

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HCAR2 Q8TDS4 4/20 0.50
KMT2A Q03164 2/20 0.40
MEN1 O00255 1/20 0.40
HRH3 Q9Y5N1 1/20 0.38
ALDH1A1 P00352 4/20 0.36
HPGD P15428 2/20 0.36
LMNA P02545 1/20 0.36
MAPT P10636 1/20 0.36
RAB9A P51151 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
CYP3A4 P08684 1/20 0.35
TSHR P16473 1/20 0.35
CYP2C19 P33261 1/20 0.35
KDM4E B2RXH2 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
KCNA5 P22460 1/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
BLM P54132 1/20 0.34
PKM P14618 1/20 0.33

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
SCHEMBL15174343 1.00 HCAR2 (0.50) HCAR2KMT2AMEN1HRH3ALDH1A1
SCHEMBL15174342 0.93 KMT2A (0.41) HCAR2KMT2AMEN1ALDH1A1HPGD
SCHEMBL22847846 0.83 HCAR2 (0.53) HCAR2KMT2AMEN1ALDH1A1LMNA
SCHEMBL15174290 0.81 HCAR2 (0.45) HCAR2KMT2AMEN1ALDH1A1HPGD
SCHEMBL15174291 0.81 HCAR2 (0.45) HCAR2KMT2AMEN1ALDH1A1HPGD
SCHEMBL15173698 0.80 HCAR2 (0.42) HCAR2KMT2AMEN1HRH3ALDH1A1
SCHEMBL842816 0.80 KMT2A (0.38) KMT2AMEN1ALDH1A1HPGDLMNA
SCHEMBL15154700 0.80 HCAR2 (0.42) HCAR2KMT2AMEN1HRH3ALDH1A1
SCHEMBL2115608 0.78 HCAR2 (0.47) HCAR2KMT2AMEN1ALDH1A1HPGD
SCHEMBL2115607 0.78 HCAR2 (0.47) HCAR2KMT2AMEN1ALDH1A1HPGD

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
CN-104169261-A Morpholinoalkyl fumarate compounds, pharmaceutical compositions, and methods of use XENOPORT INC 2014-11-26 CN disclosed