SCHEMBL23398592

SCHEMBL23398592

Cc1ccccc1-n1[nH]c(C(C)(C)C)c(CC(C)C)c1=O

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MT-CO1 P00395 1/20 0.38
MT-CO2 P00403 1/20 0.38
NOX4 Q9NPH5 1/20 0.35
MPL P40238 1/20 0.34
MGLL Q99685 1/20 0.33
ELANE P08246 1/20 0.33
GAA P10253 2/20 0.32
ALOX5 P09917 2/20 0.32
ADRB1 P08588 1/20 0.32
MAPT P10636 3/20 0.32
PDE7A Q13946 1/20 0.32
LMNA P02545 1/20 0.32
HTT P42858 1/20 0.32
HSD11B1 P28845 1/20 0.32
HCAR1 Q9BXC0 1/20 0.32
DDB1 Q16531 1/20 0.31
CRBN Q96SW2 1/20 0.31
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
HPGD P15428 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
SCHEMBL23401707 0.85 MT-CO1 (0.40) MT-CO1MT-CO2NOX4MPLMGLL
SCHEMBL23400793 0.83 GAA (0.43) MT-CO1MT-CO2NOX4MPLMGLL
SCHEMBL23398817 0.83 NOX4 (0.41) MT-CO1MT-CO2NOX4MPLMGLL
SCHEMBL23399179 0.82 MT-CO1 (0.54) MT-CO1MT-CO2GAAMAPTLMNA
SCHEMBL23402776 0.82 NOX4 (0.37) NOX4MPLMGLLELANEGAA
SCHEMBL23400357 0.82 POLB (0.40) MT-CO1MT-CO2NOX4MPLMGLL
SCHEMBL23399458 0.82 NOX4 (0.43) NOX4MPLMGLLELANEGAA
SCHEMBL23401621 0.81 NOX4 (0.36) NOX4MPLMGLLELANEGAA
SCHEMBL23399348 0.80 MT-CO1 (0.37) MT-CO1MT-CO2NOX4MPLMGLL
SCHEMBL23401159 0.79 MGLL (0.40) NOX4MPLMGLLELANEGAA

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