SCHEMBL3426571

SCHEMBL3426571

CCOC(=O)[C@@H](C)O[C@H](C)c1ccc(C)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.43
MEN1 O00255 2/20 0.43
ACHE P22303 1/20 0.41
LMNA P02545 4/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
AURKA O14965 1/20 0.39
NTRK1 P04629 1/20 0.39
TDP1 Q9NUW8 1/20 0.38
SMN1; SMN2 Q16637 4/20 0.38
HTT P42858 2/20 0.38
GAA P10253 1/20 0.38
STAT3 P40763 1/20 0.38
ALOX5 P09917 1/20 0.38
ALDH1A1 P00352 3/20 0.37
HPGD P15428 2/20 0.37
KDM4E B2RXH2 1/20 0.37
DHODH Q02127 1/20 0.37
MMP8 P22894 1/20 0.37
RAB9A P51151 1/20 0.37
TP53 P04637 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
SCHEMBL2098150 0.88 ESR1 (0.47) KMT2ALMNAL3MBTL1TDP1GAA
SCHEMBL300994 0.88 ESR1 (0.47) KMT2ALMNAL3MBTL1TDP1GAA
SCHEMBL1823023 0.88 ESR1 (0.47) KMT2ALMNAL3MBTL1TDP1GAA
SCHEMBL2720024 0.87 LMNA (0.38) KMT2AMEN1LMNAL3MBTL1TDP1
SCHEMBL16673423 0.86 MMP8 (0.51) KMT2AMEN1LMNAL3MBTL1TDP1
SCHEMBL11307651 0.83 MAPT (0.50) LMNATDP1SMN1; SMN2HTTGAA
SCHEMBL3279844 0.78 KMT2A (0.47) KMT2AMEN1ACHELMNAAURKA
SCHEMBL4068942 0.76 MMP8 (0.54) KMT2AMEN1ACHELMNAAURKA
SCHEMBL3541681 0.76 MEN1 (0.49) KMT2AMEN1ACHELMNAL3MBTL1
SCHEMBL12310810 0.75 ALDH1A1 (0.40) KMT2AMEN1LMNAL3MBTL1TDP1

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
US-8163464-B2 Propanoates and processes for preparing the same Du Pont Electronic Polymers L.P. (US) 2012-04-24 US disclosed