SCHEMBL23401960

SCHEMBL23401960

CCc1[nH]n(-c2ccccc2)c(=O)c1CC

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MT-CO1 P00395 2/20 0.59
MT-CO2 P00403 2/20 0.59
GAA P10253 4/20 0.53
L3MBTL1 Q9Y468 1/20 0.50
TSHR P16473 1/20 0.47
MPI P34949 1/20 0.47
ALOX15 P16050 1/20 0.46
HTT P42858 1/20 0.45
MEN1 O00255 3/20 0.45
KMT2A Q03164 3/20 0.45
MAPT P10636 3/20 0.43
ALDH1A1 P00352 2/20 0.43
KDM4E B2RXH2 2/20 0.43
NPSR1 Q6W5P4 2/20 0.43
ELOVL6 Q9H5J4 1/20 0.43
KAT8 Q9H7Z6 1/20 0.43
NPC1 O15118 1/20 0.42
POLB P06746 1/20 0.42
MAPK1 P28482 1/20 0.42
RAB9A P51151 1/20 0.42

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
SCHEMBL23400368 0.89 MT-CO1 (0.55) MT-CO1MT-CO2GAAL3MBTL1TSHR
SCHEMBL23400103 0.89 GAA (0.52) MT-CO1MT-CO2GAAL3MBTL1TSHR
SCHEMBL28299053 0.87 MT-CO1 (0.71) MT-CO1MT-CO2GAAL3MBTL1TSHR
SCHEMBL23402659 0.86 GAA (0.50) MT-CO1MT-CO2GAAL3MBTL1TSHR
SCHEMBL23400026 0.86 MT-CO1 (0.47) MT-CO1MT-CO2GAAL3MBTL1TSHR
SCHEMBL23403237 0.86 GAA (0.54) MT-CO1MT-CO2GAAL3MBTL1TSHR
SCHEMBL23402701 0.86 MT-CO1 (0.53) MT-CO1MT-CO2GAAL3MBTL1TSHR
SCHEMBL23402829 0.85 SMN1; SMN2 (0.51) MT-CO1MT-CO2GAAL3MBTL1ALOX15
SCHEMBL23400484 0.83 ALKBH5 (0.46) MT-CO1MT-CO2GAAL3MBTL1MPI
SCHEMBL23402295 0.83 MPI (0.51) MT-CO1MT-CO2GAAL3MBTL1TSHR

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
EP-3828159-A1 STORAGE AND TRANSPORT STABILIZERS FOR POLYMERIZABLE COMPOUNDS BASF SE (DE) 2021-06-02 EP disclosed