SCHEMBL28323658

SCHEMBL28323658

CC(C)OC(=O)CCC(C)(C)CC[N+](=O)[O-]

nearest known ligand 0.39

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.39
ALDH1A1 P00352 1/20 0.34
MEN1 O00255 1/20 0.33
BLM P54132 1/20 0.33
HBB P68871 1/20 0.33
KMT2A Q03164 1/20 0.33
HIF1A Q16665 1/20 0.33
HTT P42858 1/20 0.31
MAPT P10636 1/20 0.31
TSHR P16473 1/20 0.30

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
SCHEMBL28087256 0.81 LMNA (0.47) LMNAALDH1A1MEN1BLMHBB
SCHEMBL14984809 0.73 LMNA (0.50) LMNAALDH1A1HTTMAPTTSHR
SCHEMBL28093161 0.71 LMNA (0.48) LMNAALDH1A1HTTMAPTTSHR
SCHEMBL28511337 0.69 LMNA (0.41) LMNAALDH1A1MAPTTSHR
SCHEMBL19859133 0.68 LMNA (0.46) LMNAALDH1A1HTTMAPTTSHR
SCHEMBL12505330 0.68 LMNA (0.65) LMNAALDH1A1MEN1BLMKMT2A
SCHEMBL72471 0.67 LMNA (0.62) LMNAALDH1A1HTTMAPTTSHR
SCHEMBL18885501 0.66 LMNA (0.40) LMNAMAPTTSHR
SCHEMBL31402602 0.65 LMNA (0.60) LMNAALDH1A1BLMHTTMAPT
SCHEMBL9362276 0.65 LMNA (0.46) LMNAALDH1A1HTTMAPTTSHR

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-110267948-A Modulators of cystic fibrosis transmembrane conductance regulator, pharmaceutical compositions, methods of treatment, and methods of making the modulators 弗特克斯药品有限公司 2019-09-20 CN disclosed