SCHEMBL13815216

SCHEMBL13815216

CC(C)NC(=O)COc1ccc(OCC(=O)OC(C)C)cc1

nearest known ligand 0.61

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.61
GAA P10253 2/20 0.56
LMNA P02545 4/20 0.52
L3MBTL1 Q9Y468 2/20 0.52
SMN1; SMN2 Q16637 7/20 0.51
ALDH1A1 P00352 5/20 0.51
KDM4E B2RXH2 1/20 0.51
HPGD P15428 1/20 0.51
NPSR1 Q6W5P4 1/20 0.51
THRB P10828 1/20 0.48
POLB P06746 1/20 0.47
PKM P14618 1/20 0.47
KMT2A Q03164 2/20 0.47
MEN1 O00255 1/20 0.46
HTT P42858 1/20 0.46
MAPK1 P28482 1/20 0.46

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
SCHEMBL6539272 0.83 LMNA (0.54) MAPTGAALMNAL3MBTL1SMN1; SMN2
SCHEMBL25758742 0.82 ALDH1A1 (0.62) MAPTGAALMNAL3MBTL1SMN1; SMN2
SCHEMBL13823115 0.82 MAPT (0.67) MAPTGAAL3MBTL1SMN1; SMN2ALDH1A1
SCHEMBL8248742 0.81 SMN1; SMN2 (0.64) GAALMNAL3MBTL1SMN1; SMN2ALDH1A1
SCHEMBL8241785 0.81 RAB9A (0.66) MAPTGAALMNAL3MBTL1SMN1; SMN2
SCHEMBL23605758 0.80 MAPT (0.69) MAPTGAALMNAL3MBTL1SMN1; SMN2
SCHEMBL10765557 0.80 SMN1; SMN2 (0.63) MAPTLMNAL3MBTL1SMN1; SMN2ALDH1A1
SCHEMBL6538992 0.79 GAA (0.61) MAPTGAALMNAL3MBTL1SMN1; SMN2
SCHEMBL20024729 0.79 MAPT (0.57) MAPTGAALMNAL3MBTL1SMN1; SMN2
SCHEMBL24806561 0.79 MAPT (0.67) MAPTGAALMNASMN1; SMN2ALDH1A1

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-7541454-B2 Compounds and methods for fluorescent labeling EPOCH BIOSCIENCES, INC. (US) 2009-06-02 US disclosed