SCHEMBL2336876

SCHEMBL2336876

CC(C)(C)OC(=O)CCCCCCCCCCCC(N)N

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 1/20 0.40
ALDH1A1 P00352 1/20 0.37
HDAC1 Q13547 2/20 0.37
HDAC2 Q92769 2/20 0.37
HDAC6 Q9UBN7 2/20 0.37
HDAC8 Q9BY41 2/20 0.36
LMNA P02545 2/20 0.35
MEN1 O00255 1/20 0.34
GAA P10253 1/20 0.34
KMT2A Q03164 1/20 0.34
HDAC3 O15379 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
MAPT P10636 2/20 0.33
LTA4H P09960 1/20 0.33
DGKA P23743 1/20 0.33
MAPK1 P28482 1/20 0.33
PABPC1 P11940 1/20 0.33
APOBEC3A P31941 1/20 0.33
APOBEC3G Q9HC16 1/20 0.33
TDP1 Q9NUW8 1/20 0.33

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
SCHEMBL2331646 1.00 EPHX2 (0.40) EPHX2ALDH1A1HDAC1HDAC2HDAC6
SCHEMBL2332922 1.00 EPHX2 (0.40) EPHX2ALDH1A1HDAC1HDAC2HDAC6
SCHEMBL2925241 0.92 EPHX2 (0.36) EPHX2HDAC1HDAC2HDAC6HDAC8
SCHEMBL4230480 0.87 EPHX2 (0.40) EPHX2ALDH1A1HDAC1HDAC2HDAC6
SCHEMBL20496965 0.86 EPHX2 (0.39) EPHX2ALDH1A1HDAC1HDAC2HDAC6
SCHEMBL29278340 0.85 EPHX2 (0.38) EPHX2ALDH1A1HDAC1HDAC2HDAC6
SCHEMBL517314 0.85 GABRP (0.41) EPHX2ALDH1A1HDAC1HDAC2HDAC6
SCHEMBL29579375 0.84 GSR (0.47) MEN1KMT2A
SCHEMBL4758907 0.84 GSR (0.47) MEN1KMT2A
SCHEMBL3858559 0.84 GSR (0.47) MEN1KMT2A

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
EP-2360188-B1 HYALURONIC ACID DERIVATIVE AND PHARMACEUTICAL COMPOSITION THEREOF NAT UNIV CORP TOKYO MED & DENT (JP) 2014-09-17 EP disclosed
EP-2360188-A1 HYALURONIC ACID DERIVATIVE AND PHARMACEUTICAL COMPOSITION THEREOF National University Corporation Tokyo Medical and Dental University (JP) 2011-08-24 EP disclosed