SCHEMBL6468339

SCHEMBL6468339

O=C(O)CCNC(=O)OC1CCOCC1

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 2/20 0.41
GAA P10253 1/20 0.36
KDM4E B2RXH2 1/20 0.36
HTT P42858 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.35
ECE1 P42892 1/20 0.34
BCHE P06276 2/20 0.34
KAT2B Q92831 1/20 0.33
BAZ2B Q9UIF8 1/20 0.33
CPB1 P15086 1/20 0.33
ACACB O00763 1/20 0.33
ACACA Q13085 1/20 0.33
GLA P06280 1/20 0.33
EGLN1 Q9GZT9 1/20 0.32
FFAR4 Q5NUL3 1/20 0.32
KCNA3 P22001 2/20 0.31
EPHX2 P34913 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31

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
SCHEMBL2860088 0.83 EPHX1 (0.43) EPHX1GAAKDM4EL3MBTL1BCHE
SCHEMBL8371398 0.77 EPHX1 (0.68) EPHX1GAAHTTBCHEKAT2B
SCHEMBL1023586 0.71 KAT2B (0.43) EPHX1L3MBTL1KAT2BBAZ2BACACB
Hydrochloric Acid SCHEMBL4446983 0.71 EPHX1 (0.54) EPHX1GAAEPHX2
SCHEMBL25283458 0.71 EPHX1 (0.38) EPHX1L3MBTL1KAT2BBAZ2BSMN1; SMN2
SCHEMBL15233241 0.71 KAT2B (0.49) EPHX1BCHEKAT2BBAZ2BKCNA3
SCHEMBL13748646 0.70 EPHX1 (0.41) EPHX1GAAKAT2BBAZ2BEPHX2
Hydrochloric Acid SCHEMBL3966985 0.69 KAT2B (0.42) EPHX1L3MBTL1KAT2BBAZ2BACACB
SCHEMBL1023585 0.69 KAT2B (0.39) EPHX1L3MBTL1KAT2BBAZ2B
SCHEMBL12850048 0.69 EPHX2 (0.43) EPHX1GAAHTTBCHEKCNA3

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-1516877-A1 Amine derivatives as protease inhibitors AXYS PHARMACEUTICALS, INC. (US) 2005-03-23 EP disclosed