SCHEMBL28356288

SCHEMBL28356288

CC(C)(C)OC(=O)C1CCCCN1C#N

nearest known ligand 0.51

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CTSK P43235 6/20 0.51
CTSL P07711 3/20 0.51
CTSB P07858 3/20 0.51
CTSH P09668 2/20 0.51
MEN1 O00255 1/20 0.40
ALDH1A1 P00352 1/20 0.40
MAPT P10636 1/20 0.40
KMT2A Q03164 1/20 0.40
UCHL1 P09936 4/20 0.39
CASP3 P42574 1/20 0.37
HPGD P15428 1/20 0.37
FKBP1A P62942 3/20 0.36
EPHX1 P07099 1/20 0.35
HSD17B10 Q99714 1/20 0.35
HRH3 Q9Y5N1 1/20 0.35

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
SCHEMBL3759121 0.84 CASP3 (0.37) CTSKCTSLCTSBCTSHMEN1
SCHEMBL6039781 0.81 HSD17B10 (0.40) CTSKCTSLCTSBCTSHMEN1
SCHEMBL3760487 0.79 HSD17B10 (0.39) CTSKCTSLCTSBCTSHMEN1
SCHEMBL6856059 0.77 CTSL (0.56) CTSKCTSLCTSBCTSHUCHL1
SCHEMBL30749079 0.77 CTSL (0.56) CTSKCTSLCTSBCTSHUCHL1
SCHEMBL2261903 0.77 CASP3 (0.43) CASP3HPGDFKBP1AEPHX1HSD17B10
SCHEMBL29894062 0.77 HPGD (0.41) CASP3HPGDFKBP1AEPHX1HSD17B10
SCHEMBL7538169 0.77 HPGD (0.41) CASP3HPGDFKBP1AEPHX1HSD17B10
SCHEMBL17595518 0.77 HPGD (0.41) CASP3HPGDFKBP1AEPHX1HSD17B10
SCHEMBL17595517 0.77 HPGD (0.41) CASP3HPGDFKBP1AEPHX1HSD17B10

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
CN-104945382-B Substituted piperidines that increase p53 activity and uses thereof 默沙东公司 2020-02-07 CN disclosed