SCHEMBL28099778

SCHEMBL28099778

O=S(=O)(O)CC(O)CN1CCOCC1.O=S(=O)(O)CCCN1CCOCC1

nearest known ligand 0.58

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
USP2 O75604 1/20 0.51
L3MBTL1 Q9Y468 1/20 0.45
KEAP1 Q14145 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
EPHX2 P34913 1/20 0.38
TSHR P16473 1/20 0.37
HRH3 Q9Y5N1 1/20 0.37
ALDH1A1 P00352 2/20 0.37
PAOX Q6QHF9 1/20 0.37
ATM Q13315 1/20 0.37
HPGD P15428 1/20 0.36
DUSP3 P51452 1/20 0.36
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36
CA9 Q16790 1/20 0.36
ANPEP P15144 1/20 0.36
GAA P10253 1/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36

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
SCHEMBL56323 0.89 USP2 (0.64) USP2L3MBTL1SMN1; SMN2TSHRALDH1A1
SCHEMBL5463781 0.89 USP2 (0.64) USP2L3MBTL1SMN1; SMN2TSHRALDH1A1
SCHEMBL27896841 0.89 USP2 (0.64) USP2L3MBTL1SMN1; SMN2TSHRALDH1A1
SCHEMBL31473011 0.88 USP2 (0.62) USP2L3MBTL1SMN1; SMN2TSHRALDH1A1
SCHEMBL2944247 0.88 USP2 (0.62) USP2L3MBTL1SMN1; SMN2TSHRALDH1A1
SCHEMBL31473009 0.88 USP2 (0.62) USP2L3MBTL1SMN1; SMN2TSHRALDH1A1
Water SCHEMBL28118464 0.86 USP2 (0.60) USP2L3MBTL1SMN1; SMN2TSHRALDH1A1
Water SCHEMBL28317109 0.86 USP2 (0.60) USP2L3MBTL1SMN1; SMN2TSHRALDH1A1
SCHEMBL15732 0.84 KEAP1 (0.52) KEAP1SMN1; SMN2EPHX2HRH3ALDH1A1
SCHEMBL2411125 0.84 KEAP1 (0.52) KEAP1SMN1; SMN2EPHX2HRH3ALDH1A1

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
CN-105939779-A SYSTEM AND METHOD FOR MOVEMENT AND TIMING CONTROL 加州理工学院 2016-09-14 CN disclosed