SCHEMBL19975948

SCHEMBL19975948

CC(C)(C)NC(=O)CCC(=O)N1CCN(C(C)(C)C)CC1

nearest known ligand 0.48

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 4/20 0.48
▸ SMN1; SMN2 Q16637 2/20 0.44
▸ ADORA3 P0DMS8 1/20 0.38
▸ HRH3 Q9Y5N1 3/20 0.37
▸ LMNA P02545 2/20 0.37
▸ HPGD P15428 2/20 0.37
▸ KDM4E B2RXH2 1/20 0.37
▸ MEN1 O00255 1/20 0.37
▸ USP2 O75604 1/20 0.37
▸ CYP3A4 P08684 1/20 0.37
▸ KMT2A Q03164 1/20 0.37
▸ HSD17B10 Q99714 1/20 0.37
▸ TDP1 Q9NUW8 1/20 0.37
▸ RBP4 P02753 1/20 0.37
▸ PKM P14618 1/20 0.35
▸ ATM Q13315 1/20 0.33
▸ EPHX2 P34913 1/20 0.33
▸ CACNA1H O95180 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
SCHEMBL24701188 0.80 SMN1; SMN2 (0.64) ALDH1A1SMN1; SMN2LMNA
SCHEMBL10102870 0.80 ALDH1A1 (0.41) ALDH1A1SMN1; SMN2LMNAKMT2ATDP1
SCHEMBL13821163 0.79 USP2 (0.42) ALDH1A1SMN1; SMN2HRH3LMNAHPGD
SCHEMBL16219373 0.79 ALDH1A1 (0.42) ALDH1A1SMN1; SMN2HRH3LMNAHPGD
SCHEMBL19975981 0.78 ALDH1A1 (0.43) ALDH1A1SMN1; SMN2ADORA3LMNAHPGD
SCHEMBL19703868 0.78 ALDH1A1 (0.42) ALDH1A1SMN1; SMN2HRH3LMNAEPHX2
SCHEMBL10131865 0.77 L3MBTL1 (0.46) ALDH1A1HRH3LMNAHPGDKDM4E
SCHEMBL23594011 0.75 SMN1; SMN2 (0.54) ALDH1A1SMN1; SMN2LMNACACNA1H
SCHEMBL24535326 0.75 ALDH1A1 (0.42) ALDH1A1SMN1; SMN2HRH3LMNAHPGD
SCHEMBL16133079 0.75 SIGMAR1 (0.42) ALDH1A1HRH3LMNAHPGDKDM4E

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-9920085-B2 Boronic acid conjugates of oligonucleotide analogues SAREPTA THERAPEUTICS, INC. (US) 2018-03-20 — — US disclosed
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