SCHEMBL20558262

SCHEMBL20558262

CCOC(=O)CC(=O)OC(=O)N1CCCCC1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.52
MGAM O43451 1/20 0.52
SI P14410 1/20 0.52
MGAM2 Q2M2H8 1/20 0.52
THRB P10828 1/20 0.47
ATM Q13315 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
ALDH1A1 P00352 4/20 0.45
TSHR P16473 1/20 0.43
KDM4E B2RXH2 2/20 0.42
POLB P06746 3/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
HTT P42858 1/20 0.42
NPC1 O15118 2/20 0.41
RAB9A P51151 2/20 0.41
CHRM1 P11229 2/20 0.41
PRKCA P17252 1/20 0.41
GSK3B P49841 1/20 0.41
ABL1 P00519 1/20 0.41
MAPT P10636 1/20 0.41

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
SCHEMBL23293519 0.98 GAA (0.54) GAAMGAMSIMGAM2THRB
SCHEMBL23293481 0.95 GAA (0.54) GAAMGAMSIMGAM2THRB
SCHEMBL20599579 0.84 ALDH1A1 (0.40) GAAMGAMSIMGAM2THRB
SCHEMBL20600234 0.84 ALDH1A1 (0.40) GAAMGAMSIMGAM2THRB
SCHEMBL15647441 0.82 L3MBTL1 (0.48) GAAMGAMSIMGAM2THRB
SCHEMBL20599636 0.82 MGAM (0.38) GAAMGAMSIMGAM2THRB
SCHEMBL28771185 0.81 ALDH1A1 (0.44) THRBATML3MBTL1ALDH1A1TSHR
SCHEMBL21138457 0.81 ALDH1A1 (0.61) GAATHRBATML3MBTL1ALDH1A1
SCHEMBL1292196 0.81 ALDH1A1 (0.61) GAATHRBATML3MBTL1ALDH1A1
SCHEMBL8710504 0.81 ALDH1A1 (0.61) GAATHRBATML3MBTL1ALDH1A1

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
WO-2018205948-A1 COMPOUNDS GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2018-11-15 WO disclosed