SCHEMBL13433229

SCHEMBL13433229

COc1ccc(/C=C(\CC2CC(C)(C)NC(C)(C)C2)C(=O)OC2CC(C)(C)NC(C)(C)C2)cc1

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.41
ALDH1A1 P00352 5/20 0.36
KDM4E B2RXH2 2/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
EZH2 Q15910 1/20 0.35
ATM Q13315 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
HTT P42858 1/20 0.34
LMNA P02545 2/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
GSK3B P49841 1/20 0.34
MAPT P10636 2/20 0.33
CYP2A6 P11509 1/20 0.33
HPGD P15428 1/20 0.33
THRB P10828 1/20 0.33
PTGS2 P35354 1/20 0.33
POLB P06746 1/20 0.33

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
SCHEMBL14007425 1.00 GAA (0.41) GAAALDH1A1KDM4ESMN1; SMN2EZH2
SCHEMBL5648710 0.83 GAA (0.46) GAAALDH1A1KDM4ESMN1; SMN2EZH2
SCHEMBL10079245 0.76 GAA (0.39) GAAALDH1A1KDM4ESMN1; SMN2EZH2
SCHEMBL9207159 0.75 HTT (0.55) GAAALDH1A1ATMHTTLMNA
SCHEMBL9207163 0.75 HTT (0.55) GAAALDH1A1ATMHTTLMNA
SCHEMBL28000710 0.72 GAA (0.71) GAAKDM4EEZH2ATML3MBTL1
SCHEMBL21298584 0.71 HTT (0.37) GAAALDH1A1KDM4ESMN1; SMN2HTT
SCHEMBL13148368 0.70 ALDH1A1 (0.40) GAAALDH1A1KDM4ESMN1; SMN2HTT
SCHEMBL10085542 0.69 ATM (0.39) ALDH1A1KDM4EEZH2ATML3MBTL1
SCHEMBL78186 0.68 HTT (0.40) GAAALDH1A1KDM4ESMN1; SMN2HTT

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-20100075119-A1 INK COMPOSITION, INKJET RECORDING METHOD, AND PRINTED MATERIAL FUJIFILM CORPORATION (JP) 2010-03-25 US disclosed