SCHEMBL7207843

SCHEMBL7207843

CC1OCC(=O)C1NC(=O)CC(C)(C)CCOC(=O)N1CCOCC1

nearest known ligand 0.39

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.39
LMNA P02545 2/20 0.39
POLB P06746 1/20 0.39
TSHR P16473 2/20 0.38
RECQL P46063 2/20 0.36
USP2 O75604 1/20 0.34
ALDH1A1 P00352 3/20 0.34
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
NPSR1 Q6W5P4 1/20 0.33
RAB9A P51151 1/20 0.32
GPR119 Q8TDV5 1/20 0.31
CTSK P43235 1/20 0.31
KDM4E B2RXH2 1/20 0.31
GAA P10253 1/20 0.31
MAPT P10636 1/20 0.31
HPGD P15428 1/20 0.31
CASP1 P29466 1/20 0.31
HSD17B10 Q99714 1/20 0.31

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
SCHEMBL7019946 0.75 CTSK (0.40) SMN1; SMN2LMNAPOLBTSHRRECQL
SCHEMBL5870342 0.73 CTSS (0.35) SMN1; SMN2TSHRRECQLUSP2ALDH1A1
SCHEMBL6957544 0.71 ALDH1A1 (0.40) SMN1; SMN2LMNAPOLBTSHRRECQL
SCHEMBL6475446 0.68 CTSS (0.48) SMN1; SMN2CTSK
SCHEMBL6476174 0.68 CTSS (0.41) SMN1; SMN2CTSK
SCHEMBL5870402 0.67 CTSS (0.42) CTSK
SCHEMBL6477138 0.66 CTSS (0.44) SMN1; SMN2CTSK
SCHEMBL6475349 0.65 CTSS (0.53) CTSK
SCHEMBL6589060 0.64 CTSK (0.38) CTSK
SCHEMBL6592618 0.64 CTSS (0.43) CTSK

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-1358174-A2 INHIBITORS OF CRUZIPAIN AND OTHER CYSTEINE PROTEASES Amura Therapeutics Limited (GB) 2003-11-05 EP disclosed
WO-2002057248-A2 INHIBITORS OF CRUZIPAIN AND OTHER CYSTEINE PROTEASES AMURA THERAPEUTICS LIMITED (GB) 2002-07-25 WO disclosed