SCHEMBL27725307

SCHEMBL27725307

COc1cc(CN)c(CCCCCCCCCC(=O)O)c(O)c1OC

nearest known ligand 0.46

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.46
MAPK1 P28482 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
ALOX5 P09917 4/20 0.44
IMPDH1 P20839 2/20 0.44
IMPDH2 P12268 1/20 0.41
F13A1 P00488 3/20 0.40

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
SCHEMBL27282340 0.89 ALOX5 (0.43) POLBMAPK1SMN1; SMN2ALOX5
SCHEMBL11000559 0.84 POLB (0.50) POLBMAPK1SMN1; SMN2ALOX5IMPDH1
SCHEMBL11001669 0.84 POLB (0.50) POLBMAPK1SMN1; SMN2ALOX5IMPDH1
SCHEMBL7327155 0.84 POLB (0.50) POLBMAPK1SMN1; SMN2ALOX5IMPDH1
SCHEMBL7324262 0.84 POLB (0.50) POLBMAPK1SMN1; SMN2ALOX5IMPDH1
SCHEMBL27281800 0.83 ALOX5 (0.47) ALOX5
SCHEMBL11000696 0.81 POLB (0.47) POLBMAPK1SMN1; SMN2ALOX5IMPDH1
SCHEMBL11001924 0.81 POLB (0.47) POLBMAPK1SMN1; SMN2ALOX5IMPDH1
SCHEMBL7320031 0.79 POLB (0.46) POLBMAPK1SMN1; SMN2ALOX5IMPDH1
SCHEMBL7320313 0.73 ALOX5 (0.47) POLBMAPK1SMN1; SMN2ALOX5

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-101333158-B Method for preparing idebenone Suzhou lixin pharmaceutical co ltd 2010-07-21 CN disclosed
CN-101333158-A Method for preparing idebenone SUZHOU LIXIN PHARMACEUTICAL CO (CN) 2008-12-31 CN disclosed