SCHEMBL16448940

SCHEMBL16448940

CCOC(=O)/C=C/C(=O)OCCN1CCCCC1

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ACHE P22303 2/20 0.47
BCHE P06276 1/20 0.47
HCAR2 Q8TDS4 2/20 0.47
KDM4E B2RXH2 1/20 0.46
KMT2A Q03164 2/20 0.44
MEN1 O00255 1/20 0.44
ATM Q13315 1/20 0.43
ALDH1A1 P00352 1/20 0.42
LMNA P02545 1/20 0.42
MAPT P10636 1/20 0.42
KCNH2 Q12809 1/20 0.42
HRH3 Q9Y5N1 1/20 0.42
HPGD P15428 1/20 0.40
TSHR P16473 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40

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
SCHEMBL16448943 0.90 ACHE (0.51) ACHEBCHEHCAR2KDM4EATM
SCHEMBL16448942 0.90 HCAR2 (0.53) ACHEBCHEHCAR2KDM4EKMT2A
Hydrochloric Acid SCHEMBL16038209 0.90 KMT2A (0.49) BCHEKDM4EKMT2AMEN1ALDH1A1
SCHEMBL16448946 0.89 BCHE (0.56) ACHEBCHEHCAR2KDM4EKMT2A
Hydrochloric Acid SCHEMBL16037851 0.88 KMT2A (0.46) BCHEKDM4EKMT2AMEN1ATM
SCHEMBL16448948 0.87 ATM (0.62) ACHEHCAR2KDM4EKMT2AMEN1
SCHEMBL16435308 0.87 KMT2A (0.44) BCHEKDM4EKMT2AMEN1ATM
SCHEMBL15171911 0.87 KMT2A (0.44) HCAR2KDM4EKMT2AMEN1ALDH1A1
SCHEMBL16090954 0.87 KMT2A (0.44) HCAR2KDM4EKMT2AMEN1ALDH1A1
SCHEMBL16448941 0.86 HCAR2 (0.57) ACHEBCHEHCAR2KDM4EKMT2A

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-8952006-B2 Morpholinoalkyl fumarate compounds, pharmaceutical compositions, and methods of use XENOPORT, INC. (US) 2015-02-10 US disclosed