SCHEMBL26033486

SCHEMBL26033486

COC(=O)/C=C/C(O)OCCNC1CCCCC1

nearest known ligand 0.38

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 7/20 0.38
ALDH1A1 P00352 5/20 0.38
TDP1 Q9NUW8 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.37
EPHX2 P34913 2/20 0.36
SMN1; SMN2 Q16637 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
EPHX1 P07099 1/20 0.35
CYP1A2 P05177 1/20 0.34
CYP2D6 P10635 1/20 0.34
CYP2C19 P33261 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
SCHEMBL16092908 0.79 L3MBTL1 (0.47) KDM4EALDH1A1TDP1L3MBTL1EPHX2
SCHEMBL26033101 0.72 KDM4E (0.38) KDM4EALDH1A1TDP1NPSR1
SCHEMBL26031933 0.70 ALDH1A1 (0.37) KDM4EALDH1A1NPSR1
SCHEMBL10181124 0.70 NPSR1 (0.42) KDM4EEPHX2SMN1; SMN2NPSR1EPHX1
SCHEMBL20261888 0.70 NPSR1 (0.42) KDM4EEPHX2SMN1; SMN2NPSR1EPHX1
SCHEMBL25623301 0.70 L3MBTL1 (0.47) KDM4EALDH1A1TDP1L3MBTL1EPHX2
SCHEMBL26033458 0.67 KDM4E (0.37) KDM4E
SCHEMBL2774793 0.67 KDM4E (0.53) KDM4EALDH1A1TDP1L3MBTL1EPHX2
SCHEMBL6533951 0.67 KDM4E (0.53) KDM4EALDH1A1TDP1L3MBTL1EPHX2
SCHEMBL3530758 0.67 KDM4E (0.53) KDM4EALDH1A1TDP1L3MBTL1EPHX2

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
EP-4230264-A2 PRODRUGS OF FUMARATES AND THEIR USE IN TREATING VARIOUS DESEASES Alkermes Pharma Ireland Limited (IE) 2023-08-23 EP disclosed