SCHEMBL17079404

SCHEMBL17079404

CCOC(=O)c1nnc(CCNC(=O)OC(C)(C)C)o1

nearest known ligand 0.60

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HTT P42858 4/20 0.60
ALDH1A1 P00352 6/20 0.56
MAPT P10636 2/20 0.53
TDP1 Q9NUW8 1/20 0.53
NPSR1 Q6W5P4 2/20 0.51
LMNA P02545 4/20 0.49
POLB P06746 1/20 0.49
TSHR P16473 4/20 0.48
MEN1 O00255 3/20 0.48
KMT2A Q03164 3/20 0.48
HPGD P15428 3/20 0.48
GAA P10253 1/20 0.48
SMN1; SMN2 Q16637 2/20 0.47
PKM P14618 1/20 0.47
KDM4E B2RXH2 2/20 0.46
TP53 P04637 1/20 0.45
GLA P06280 1/20 0.45
XBP1 P17861 1/20 0.45
HSD17B10 Q99714 1/20 0.45

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
SCHEMBL1936439 0.87 HTT (0.44) HTTALDH1A1MAPTTDP1NPSR1
SCHEMBL1786298 0.83 HTT (0.71) HTTALDH1A1MAPTTDP1NPSR1
SCHEMBL3956902 0.81 HTT (0.69) HTTALDH1A1MAPTTDP1NPSR1
SCHEMBL17087766 0.79 MPI (0.41) HTTALDH1A1NPSR1LMNAPOLB
SCHEMBL23390695 0.78 HTT (0.67) HTTALDH1A1MAPTTDP1NPSR1
SCHEMBL6328466 0.77 HTT (0.50) HTTALDH1A1MAPTTDP1NPSR1
SCHEMBL529463 0.76 NLRP3 (0.46) HTTALDH1A1MAPTTDP1POLB
SCHEMBL1219245 0.76 CTSK (0.39) HTTALDH1A1LMNATSHRTP53
SCHEMBL23390647 0.75 HTT (1.00) HTTALDH1A1MAPTTDP1NPSR1
SCHEMBL4223857 0.75 HTT (0.64) HTTALDH1A1MAPTTDP1NPSR1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3116501-A1 COMPOUNDS, COMPOSITIONS, AND METHODS FOR INCREASING CFTR ACTIVITY Proteostasis Therapeutics, Inc. (US) 2017-01-18 EP disclosed
WO-2015138909-A1 COMPOUNDS, COMPOSITIONS, AND METHODS FOR INCREASING CFTR ACTIVITY PROTEOSTASIS THERAPEUTICS, INC. (US) 2015-09-17 WO disclosed