SCHEMBL27834457

SCHEMBL27834457

C=CCOC(=O)/C=C/C(=O)O.C=CCOC(=O)/C=C/C(=O)O

nearest known ligand 0.60

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.60
CACNA1B Q00975 1/20 0.60
APBA1 Q02410 1/20 0.60
HCAR2 Q8TDS4 12/20 0.56
APP P05067 1/20 0.45
TSHR P16473 4/20 0.41
TP53 P04637 1/20 0.41
EGLN1 Q9GZT9 1/20 0.41
EGLN3 Q9H6Z9 1/20 0.41
CYP3A4 P08684 1/20 0.39
ATM Q13315 1/20 0.35
ALDH1A1 P00352 1/20 0.34
HSD17B10 Q99714 1/20 0.34

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
SCHEMBL39643 1.00 MAPT (0.60) MAPTCACNA1BAPBA1HCAR2APP
Fumaric Acid SCHEMBL27834458 1.00 MAPT (0.60) MAPTCACNA1BAPBA1HCAR2APP
SCHEMBL254252 1.00 MAPT (0.60) MAPTCACNA1BAPBA1HCAR2APP
Fumaric Acid SCHEMBL27729433 1.00 MAPT (0.60) MAPTCACNA1BAPBA1HCAR2APP
SCHEMBL39644 1.00 MAPT (0.60) MAPTCACNA1BAPBA1HCAR2APP
SCHEMBL29985915 1.00 MAPT (0.60) MAPTCACNA1BAPBA1HCAR2APP
Ethylene SCHEMBL436694 0.98 MAPT (0.58) MAPTCACNA1BAPBA1HCAR2APP
SCHEMBL1906274 0.98 MAPT (0.58) MAPTCACNA1BAPBA1HCAR2APP
SCHEMBL1906696 0.98 MAPT (0.58) MAPTCACNA1BAPBA1HCAR2APP
Water SCHEMBL586051 0.98 MAPT (0.58) MAPTCACNA1BAPBA1HCAR2APP

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
CN-102123763-B Prodrugs of methyl hydrogen fumarate, pharmaceutical compositions thereof, and methods of use thereof XENOPORT, INC. (US) 2014-10-08 CN disclosed
CN-102123763-A Prodrugs of methyl hydrogen fumarate, pharmaceutical compositions thereof, and methods of use thereof XENOPORT INC 2011-07-13 CN disclosed