SCHEMBL23399348

SCHEMBL23399348

CCc1[nH]n(-c2ccccc2C)c(=O)c1CC(C)C

nearest known ligand 0.37

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MT-CO1 P00395 1/20 0.37
MT-CO2 P00403 1/20 0.37
ELANE P08246 1/20 0.36
NOX4 Q9NPH5 1/20 0.35
MGLL Q99685 1/20 0.34
KDM4E B2RXH2 3/20 0.33
MPL P40238 1/20 0.33
GAA P10253 3/20 0.33
ALOX5 P09917 2/20 0.33
MAPT P10636 5/20 0.32
ALDH1A1 P00352 1/20 0.32
LMNA P02545 1/20 0.32
HTT P42858 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
DDB1 Q16531 1/20 0.32
CRBN Q96SW2 1/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
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
SCHEMBL23402776 0.92 NOX4 (0.37) ELANENOX4MGLLKDM4EMPL
SCHEMBL23401681 0.90 KDM4E (0.36) ELANENOX4MGLLKDM4EMPL
SCHEMBL23402238 0.89 ELANE (0.36) MT-CO1MT-CO2ELANENOX4MGLL
SCHEMBL23399784 0.87 KDM4E (0.36) ELANENOX4MGLLKDM4EGAA
SCHEMBL23402452 0.87 MT-CO1 (0.41) MT-CO1MT-CO2ELANENOX4MGLL
SCHEMBL23400793 0.85 GAA (0.43) MT-CO1MT-CO2ELANENOX4MGLL
SCHEMBL23403536 0.84 KDM4E (0.39) ELANENOX4MGLLKDM4EMPL
SCHEMBL23400059 0.83 KDM4E (0.41) MT-CO1MT-CO2ELANENOX4MGLL
SCHEMBL23400419 0.83 DCTPP1 (0.35) ELANENOX4MGLLKDM4EGAA
SCHEMBL23401390 0.82 NOX4 (0.40) ELANENOX4MGLLKDM4EMPL

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