SCHEMBL27623915

SCHEMBL27623915

CC(=O)CC(=O)OCCC1CCCC1

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.44
EPHX1 P07099 1/20 0.41
NAAA Q02083 9/20 0.41
MGAM O43451 1/20 0.40
GAA P10253 1/20 0.40
SI P14410 1/20 0.40
MGAM2 Q2M2H8 1/20 0.40
MEN1 O00255 1/20 0.39
MAPT P10636 1/20 0.39
KMT2A Q03164 1/20 0.39
ATM Q13315 1/20 0.39
ALDH1A1 P00352 2/20 0.38
HPGD P15428 2/20 0.38
ASAH1 Q13510 1/20 0.38
TDP1 Q9NUW8 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37

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
SCHEMBL28093204 0.92 MGAM (0.43) SMN1; SMN2EPHX1NAAAMGAMGAA
SCHEMBL1734362 0.88 EPHX1 (0.46) SMN1; SMN2EPHX1NAAAMEN1MAPT
SCHEMBL27842415 0.86 EPHX1 (0.49) SMN1; SMN2EPHX1NAAAMEN1MAPT
SCHEMBL28150044 0.86 SMN1; SMN2 (0.52) SMN1; SMN2EPHX1NAAAASAH1
SCHEMBL28020725 0.83 MGAM (0.35) SMN1; SMN2NAAAMGAMGAASI
SCHEMBL25022401 0.81 SMN1; SMN2 (0.46) SMN1; SMN2EPHX1NAAAMEN1MAPT
SCHEMBL20954311 0.81 LMNA (0.55) EPHX1NAAAMGAMGAASI
SCHEMBL8894777 0.80 EPHX1 (0.42) SMN1; SMN2EPHX1NAAAGAAALDH1A1
SCHEMBL11880421 0.80 EPHX1 (0.44) SMN1; SMN2EPHX1NAAAMEN1MAPT
SCHEMBL29171649 0.80 MGAM (0.39) SMN1; SMN2EPHX1NAAAMGAMGAA

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
CN-1711263-A 5-alkyl-7-aminotriazolopyrimidines, methods and intermediary product necessary for the production thereof, agents containing said compounds and the use thereof for fighting against harmful mushrooms BASF AG (DE) 2005-12-21 CN disclosed
CN-1655778-A Methods of treating hepatitis C virus infection using pyranoindole derivatives WYETH CORP (US) 2005-08-17 CN disclosed