SCHEMBL2138406

SCHEMBL2138406

CCCNC(=O)NC(=O)CC(C(=O)O)=C(C)C(=O)O

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
FNTA P49354 2/20 0.41
FNTB P49356 2/20 0.41
THRB P10828 1/20 0.41
PGGT1B P53609 1/20 0.41
KDM4C Q9H3R0 1/20 0.40
EPHX2 P34913 1/20 0.39
EPHX1 P07099 6/20 0.39
MAPT P10636 3/20 0.36
KDM4E B2RXH2 2/20 0.36
HTT P42858 1/20 0.36
MCL1 Q07820 1/20 0.34
ALDH1A1 P00352 2/20 0.34
GAA P10253 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
SCHEMBL2138401 1.00 FNTA (0.41) FNTAFNTBTHRBPGGT1BKDM4C
SCHEMBL4476345 0.77 EPHX1 (0.47) KDM4CEPHX2EPHX1MAPTKDM4E
SCHEMBL15175034 0.74 KDM4C (0.41) KDM4CEPHX2EPHX1MAPTKDM4E
SCHEMBL196214 0.73 EPHX1 (0.50) KDM4CEPHX2EPHX1MAPTKDM4E
SCHEMBL1964189 0.71 EPHX1 (0.48) KDM4CEPHX2EPHX1MAPTKDM4E
SCHEMBL22655250 0.71 KDM4E (0.46) KDM4CEPHX2EPHX1MAPTKDM4E
SCHEMBL2834332 0.71 EPHX1 (0.52) KDM4CEPHX2EPHX1MAPTKDM4E
SCHEMBL3279679 0.69 MMP1 (0.41) FNTAFNTBTHRBPGGT1BKDM4C
SCHEMBL319971 0.67 EPHX1 (0.71) KDM4CEPHX2EPHX1MAPTKDM4E
SCHEMBL30943103 0.67 EPHX1 (0.55) EPHX1

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-8148414-B2 Prodrugs of methyl hydrogen fumarate, pharmaceutical compositions thereof, and methods of use XENOPORT, INC. (US) 2012-04-03 US disclosed